SCHEMBL557799

SCHEMBL557799

CNCCc1ccc(OC)c(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 1.00
POLB P06746 1/20 1.00
MAPT P10636 1/20 0.65
CA2 P00918 3/20 0.64
KMT2A Q03164 1/20 0.63
KDM4E B2RXH2 2/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
CA12 O43570 2/20 0.61
CA1 P00915 2/20 0.61
CA9 Q16790 2/20 0.61
CA5A P35218 1/20 0.61
CA14 Q9ULX7 1/20 0.61
ALDH1A1 P00352 1/20 0.58
GLA P06280 1/20 0.58
LMNA P02545 1/20 0.58
TSHR P16473 1/20 0.58
CYP19A1 P11511 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2D6 P10635 1/20 0.58

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30230461 1.00 ATM (1.00) ATMPOLBMAPTCA2KMT2A
SCHEMBL8635081 1.00 ATM (1.00) ATMPOLBMAPTCA2KMT2A
Iodide SCHEMBL8828192 0.98 ATM (0.96) ATMPOLBMAPTCA2KMT2A
Hydrochloric Acid SCHEMBL3657276 0.98 ATM (0.96) ATMPOLBMAPTCA2KMT2A
SCHEMBL11816609 0.90 ATM (0.81) ATMPOLBMAPTCA2KMT2A
SCHEMBL2845264 0.89 ATM (0.80) ATMPOLBMAPTCA2KMT2A
SCHEMBL8420221 0.88 POLB (0.78) ATMPOLBMAPTCA2KMT2A
SCHEMBL6992471 0.87 POLB (0.76) ATMPOLBMAPTCA2KMT2A
SCHEMBL7435099 0.86 ATM (0.76) ATMPOLBMAPTCA2KMT2A
SCHEMBL8635083 0.86 ATM (0.74) ATMPOLBMAPTCA2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 870 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4583860-A1 INHIBITORS OF THE CERAMIDE METABOLIC PATHWAY FOR OVERCOMING IMMUNOTHERAPY RESISTANCE IN CANCER Institut National de la Santé et de la Recherche Médicale (FR) 2025-07-16 EP claimed
CN-118942531-A Application of kusnezoff monkshood root in preparing anti-epileptic medicament and action mechanism analysis method 宁夏医科大学 2024-11-12 CN claimed
CN-118063382-A Preparation method of impurity C in cis-atracurium besylate 大道隆达(北京)医药科技发展有限公司 2024-05-24 CN claimed
WO-2024052356-A1 INHIBITORS OF THE CERAMIDE METABOLIC PATHWAY FOR OVERCOMING IMMUNOTHERAPY RESISTANCE IN CANCER Institut National de la Santé et de la Recherche Médicale (FR) 2024-03-14 WO claimed
WO-2022190064-A1 METHODS FOR IDENTIFYING SUBJECTS WITH BETACORONAVIRUS INFECTIONS WHO ARE AT RISK OF ACUTE RESPIRATORY SYNDROME AND METHODS FOR THE TREATMENT OF SAME VEXO PHARMACEUTICALS DMCC (AE) 2022-09-15 WO claimed
CN-112876328-B Method for asymmetric catalytic synthesis of gamma-cyano amide compound and chiral drug using compound 四川大学 2022-02-08 CN claimed
CN-112876328-A Method for asymmetric catalytic synthesis of gamma-cyano amide compound and chiral drug using compound 四川大学 2021-06-01 CN claimed
EP-3461482-A1 CALCIUM CHANNEL BLOCKERS FOR THE TREATMENT OF RIBOSOMAL DISORDERS AND RIBOSOMAPATHIES Children's Medical Center Corporation (US) 2019-04-03 EP claimed
EP-3008055-B1 TETRAZOLONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2017-07-19 EP claimed
WO-2016065425-A1 BIOTRANSFORMATION REACTIONS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 2016-05-06 WO claimed
US-5057624-A PROCESS FOR THE SYNTHESIS OF THE N-METHYL-3,4-DIMETHOXYPHENYLETHYLAMINE ALFA WASSERMANN S.P.A. (IT) 1991-10-15 US claimed
EP-0428754-A1 HAIR GROWTH STIMULANT SHISEIDO COMPANY LIMITED (JP) 1991-05-29 EP claimed
EP-0389876-A1 New process for the synthesis of the N-methyl-3,4-dimethoxyphenylethylamine Alfa Chemicals Italiana S.r.l. (IT) 1990-10-03 EP claimed
US-4847403-A 2-Isopropyl-2-(2-methylphenyl)-5-(N-methyl-N-homoveratrylamino)-valeronitrile and method for producing same SPOFA, SPOJENE PODNIKY PRO ZDRAVOTNICKOU (CS) 1989-07-11 US claimed
EP-0302793-A2 Aralkylaminoalkoxyphenyl derivatives, process of preparation and compositions containing the same ELF SANOFI (FR) 1989-02-08 EP claimed
EP-0257768-A1 2-Isopropyl-2-phenyl-5-(N-methyl-2-phenylethylamino)-valeronitrile derivatives and processes for their preparation SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1988-03-02 EP claimed
EP-0142070-B1 PROCESS FOR THE PREPARATION OF N-METHYLHOMOVERATRYL AMINE BASF Aktiengesellschaft (DE) 1986-07-09 EP claimed
EP-0142070-A1 Process for the preparation of N-methylhomoveratryl amine BASF Aktiengesellschaft (DE) 1985-05-22 EP claimed
EP-0054132-B1 PYRIMIDONES, THEIR PREPARATION AND MEDICINES CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1984-10-10 EP claimed
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 US claimed