SCHEMBL4225909

SCHEMBL4225909

C[C](C)C(=O)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 12/20 0.71
CES1 P23141 11/20 0.71
TSHR P16473 3/20 0.52
DAO P14920 1/20 0.52
NAPRT Q6XQN6 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 1/20 0.52
LMNA P02545 1/20 0.52
XBP1 P17861 1/20 0.52
ATM Q13315 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
PARP1 P09874 1/20 0.48
CYP2C19 P33261 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48

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
Benzil SCHEMBL4814635 0.86 CES2 (0.82) CES2CES1TSHRDAONAPRT
Benzil SCHEMBL2252919 0.86 CES2 (0.82) CES2CES1TSHRDAONAPRT
SCHEMBL19333084 0.84 CES2 (0.65) CES2CES1TSHRDAONAPRT
SCHEMBL9445781 0.83 CES2 (0.71) CES2CES1TSHRDAONAPRT
Benzil SCHEMBL1481339 0.83 CES2 (0.80) CES2CES1TSHRDAONAPRT
SCHEMBL180411 0.83 CES2 (1.00) CES2CES1TSHRDAONAPRT
SCHEMBL15180810 0.83 CES2 (1.00) CES2CES1TSHRDAONAPRT
Benzil SCHEMBL27655380 0.82 CES2 (0.88) CES2CES1TSHRDAONAPRT
Benzil SCHEMBL4832229 0.82 CES2 (0.88) CES2CES1TSHRDAONAPRT
Benzil SCHEMBL9517636 0.82 CES2 (1.00) CES2CES1TSHRDAONAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116003659-A Hydrophobic polymer, preparation method thereof, coating material containing hydrophobic polymer and method for constructing hydrophobic/super-hydrophobic surface by using hydrophobic polymer 中国科学院过程工程研究所 2023-04-25 CN claimed
EP-0931082-B1 NODULISPORIC ACID DERIVATIVES MERCK & CO INC (US) 2003-03-19 EP claimed
US-6221894-B1 ACARICIDAL, ANTIPARASITIC, INSECTICIDAL AND ANTHELMINTIC AGENTS. MERCK & CO., INC. 2001-04-24 US claimed
EP-0531382-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-03-17 EP claimed
WO-1991018888-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-12 WO claimed
CN-113316585-B 3' -Protected nucleotides 豪夫迈·罗氏有限公司 2024-06-04 CN disclosed
CN-116003659-A Hydrophobic polymer, preparation method thereof, coating material containing hydrophobic polymer and method for constructing hydrophobic/super-hydrophobic surface by using hydrophobic polymer 中国科学院过程工程研究所 2023-04-25 CN disclosed
CN-115698337-A Methods and compositions for detecting structural rearrangements in a genome 豪夫迈·罗氏有限公司 2023-02-03 CN disclosed
CN-113316585-A 3' protected nucleotides 豪夫迈·罗氏有限公司 2021-08-27 CN disclosed
CN-111491667-A Peptide nucleic acid conjugates 文塔纳医疗系统公司 2020-08-04 CN disclosed
US-9550727-B2 Method for the crystallization of 2-(4-N,N-diethyl amino-2-hydroxy-benzoyl)-benzoic acid-n-hexyl ester BASF SE (DE) 2017-01-24 US disclosed
US-9069246-B2 Actinic ray-sensitive or radiation-sensitive resin composition, pattern forming method and resist film using the composition, and electronic device manufacturing method and electronic device using these FUJIFILM CORPORATION (JP) 2015-06-30 US disclosed
US-6087357-A Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 US disclosed
CN-1209125-A Piperazine derivatives as tachykinin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 1999-02-24 CN disclosed
EP-0531382-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-03-17 EP disclosed
EP-0531382-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-03-17 EP disclosed
WO-1991018888-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-12 WO disclosed
WO-1991018888-A1 N-SUBSTITUTED-1,2,4-TRIAZOLONE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-12 WO disclosed
US-4704396-A 5-HYDROXYTRYPTAMINE; HYPOTENSIVES ELI LILLY AND COMPANY (US) 1987-11-03 US disclosed
EP-0228876-A2 Esters of dihydrolysergic acid and related compounds ELI LILLY AND COMPANY (US) 1987-07-15 EP disclosed