SCHEMBL95902

SCHEMBL95902

Cc1ccc(OC=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.48
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
CYP2A6 P11509 1/20 0.46
LMNA P02545 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
RELA Q04206 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
TEAD4 Q15561 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
DRD3 P35462 1/20 0.39

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
SCHEMBL28837871 0.97 ACHE (0.46) ACHECYP3A4TSHRCYP2A6LMNA
SCHEMBL4570686 0.93 ACHE (0.42) ACHECYP3A4TSHRCYP2A6LMNA
SCHEMBL18805146 0.93 TEAD4 (0.52) ACHECYP3A4TSHRCYP2A6LMNA
SCHEMBL25479947 0.87 DRD2 (0.53) MEN1KMT2APOLBDRD2DRD4
SCHEMBL4570682 0.87 MAPT (0.46) ACHECYP3A4TSHRCYP2A6LMNA
SCHEMBL15500191 0.87 TSHR (0.38) ACHECYP3A4TSHRCYP2A6LMNA
SCHEMBL6454577 0.86 ALDH1A1 (0.38) CYP2A6LMNACA1CA2CA9
SCHEMBL12325325 0.85 TSHR (0.41) ACHECYP3A4TSHRCYP2A6LMNA
SCHEMBL12557368 0.84 NPC1 (0.63) CYP3A4TSHRCYP2A6MEN1KMT2A
SCHEMBL20274359 0.82 ALOX5 (0.35) ACHECYP3A4TSHRCYP2A6LMNA

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 1937 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371309-A Indenoacetates method for synthesizing compound 南通大学 2025-01-28 CN claimed
CN-114778715-B Separation and detection method for enantiomer of pyrethroid compound 国家烟草质量监督检验中心 2024-07-12 CN claimed
CN-117865874-A N-tertiary butyl-3-amino-4, 5,6, 7-tetrahydroindole derivative and preparation method thereof 常州大学 2024-04-12 CN claimed
CN-117105805-A Tyrosine alkene etherification reaction and directional modification of polypeptide or protein tyrosine 浙江工业大学 2023-11-24 CN claimed
CN-110361458-A Method for determining content of guanine in ganciclovir 武汉长联来福制药股份有限公司 2019-10-22 CN claimed
CN-107311890-B Method for synthesizing cyanomethyl carboxylate 苏州大学 2019-05-17 CN claimed
CN-109553706-A A kind of catalytic component, catalyst and application for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN claimed
CN-109553711-A A kind of catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN claimed
CN-109553703-A A kind of catalytic component and preparation method thereof for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN claimed
CN-103869613-A Colored hardening composite, pattern hardeninig colored layer using same, colored filter and liquid crystal display device SUMITOMO CHEMICAL CO 2014-06-18 CN claimed
US-4788185-A Cephalosporin compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-11-29 US claimed
EP-0204775-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE AUSTRALIAN COMMERCIAL RESEARCH & DEVELOPMENT LIMITED (AU) 1986-12-17 EP claimed
WO-1986003746-A1 AMINO ACID AND PEPTIDE INHIBITORS OF HUMAN LEUCOCYTIC ELASTASE LA TROBE UNIVERSITY (AU) 1986-07-03 WO claimed
US-4323567-A BACTERICIDES NARISADA MASAYUKI 1982-04-06 US claimed
US-4268671-A PERINONE DYES USED FOR DYEING POLYESTERS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) 1981-05-19 US claimed
US-4180571-A Arylmalonamido-1-oxadethiacephalosporins SHIONOGI & CO., LTD. (JP) 1979-12-25 US claimed
US-4138486-A BACTERICIDES SHIONOGI & CO., LTD. (JP) 1979-02-06 US claimed
US-4113495-A 2,4,4-TRIMETHYL-2-(2,5-DIHYDROXYPHENYL)-6-HYDROXY-CHROMANS FUJI PHOTO FILM CO., LTD. (JP) 1978-09-12 US claimed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US claimed
US-3948877-A POLYACRYLONITRILE, ACID MODIFIED POLYESTERS OR POLYAMIDES BAYER AKTIENGESELLSCHAFT (DT) 1976-04-06 US claimed