SCHEMBL502

SCHEMBL502

O=[C]OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.52
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
ALDH1A1 P00352 4/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
SLC6A2 P23975 2/20 0.43
SLC6A3 Q01959 2/20 0.43
MAPK1 P28482 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 1/20 0.41
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
PTGS1 P23219 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTGS2 P35354 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL8881644 1.00 TSHR (0.52) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL7617607 0.98 TSHR (0.50) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL27597789 0.95 TSHR (0.48) TSHRIDO1AGXTALDH1A1CA1
Cyanide SCHEMBL27392144 0.93 TSHR (0.46) TSHRIDO1AGXTALDH1A1CA1
Methyl Alcohol SCHEMBL28296456 0.93 ALDH1A1 (0.50) TSHRIDO1AGXTALDH1A1CA1
Methylene Chloride SCHEMBL28121276 0.93 TSHR (0.46) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL131471 0.87 IDO1 (0.55) TSHRIDO1AGXTLMNAPTGS1
SCHEMBL5545390 0.86 LMNA (0.58) CA1CA2CA9SLC6A2SLC6A3
Phthalazine SCHEMBL29114773 0.84 TSHR (0.39) TSHRIDO1AGXTALDH1A1CA1
SCHEMBL11307829 0.84 ALOX15 (0.45) TSHRIDO1AGXTALDH1A1CA1

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

Appears in 175657 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5155847-A None JP claimed
CN-118369094-A Process for preparing substituted pyrazolopyrimidines KSQ治疗公司 2024-07-19 CN claimed
CN-114644568-B Purification method of sitagliptin intermediate 浙江医药股份有限公司新昌制药厂 2024-07-19 CN claimed
US-20240240114-A1 Improved Combination of Protease and Protease Inhibitor with Secondary Enzyme BASF SE (DE) 2024-07-18 US claimed
US-20240241195-A1 SYSTEMS AND METHOD FOR GENERATION OF HYPERPOLARIZED MATERIALS NVISION IMAGING TECHNOLOGIES GMBH (DE) 2024-07-18 US claimed
EP-4398904-A1 SELECTED COMPOUNDS FOR TARGETED DEGRADATION OF BRD9 C4 Therapeutics, Inc. (US) 2024-07-17 EP claimed
EP-4399212-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-07-17 EP claimed
CN-118324695-A Method for selectively preparing quinoline-2-ketone or 3, 4-dihydro-quinoline-2-ketone compound under regulation of photocatalyst 浙江工业大学 2024-07-12 CN claimed
CN-117210828-B Electrochemical-mediated method for synthesizing thioglycoside by cross dehydrogenation and coupling of xanthene/acridine and glycosyl mercaptan 江西师范大学 2024-07-12 CN claimed
CN-118324831-A Impurity Z of 6-deoxydoxorubicin and preparation method and application thereof 四川灵生益制药有限公司 2024-07-12 CN claimed
US-3940380-A P-Glu-D-Phe-Trp-Ser-Tyr-2-Me.Ala-Leu-Arg-Pro-NH2 and intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-24 US claimed
US-3937695-A P-Glu-Trp-Ser-Tyr-D-Lys-Leu-Arg-Pro-Gly-NH2 and intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-10 US claimed
US-3936303-A Photographic photosensitive element and developing method thereof FUJI PHOTO FILM CO., LTD. (JA) 1976-02-03 US claimed
US-3933783-A Formation of peptide bonds in the presence of isonitriles AJINOMOTO CO., INC. (JA) 1976-01-20 US claimed
US-3933784-A Des-(ser13)-srif and intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-20 US claimed
US-3933782-A (N-Acetyl)-Pro-D-Phe-Trp-Ser-Tyr-D-Ala-Leu-Arg-Pro-NHEt and intermediates AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-20 US claimed
US-3934008-A PEPTIDES, HYPOCALCAEMIC CIBA-GEIGY CORPORATION (US) 1976-01-20 US claimed
US-3933781-A Process for the preparation of α-L-aspartyl-L-phenylalanine alkyl esters MONSANTO COMPANY (US) 1976-01-20 US claimed
US-3932489-A Process for t-butylating hydroxy- or thiol-substituted amino acids ELI LILLY AND COMPANY (US) 1976-01-13 US claimed
US-3931140-A (H-gly-gly-tyr-ala)1 -somatostatin AMERICAN HOME PRODUCTS CORPORATION (US) 1976-01-06 US claimed