SCHEMBL4257844

SCHEMBL4257844

CCc1ccccc1C(=O)OCCBr

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.58
TSHR P16473 7/20 0.54
TDP1 Q9NUW8 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CYP3A4 P08684 2/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
SCN1A P35498 4/20 0.52
SCN2A Q99250 4/20 0.52
SCN3A Q9NY46 4/20 0.52
LMNA P02545 3/20 0.51
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45

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
SCHEMBL27559699 0.87 TSHR (0.57) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL9279757 0.86 ALDH1A1 (0.79) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL27685242 0.85 ALDH1A1 (0.47) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL27685154 0.85 ALDH1A1 (0.47) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6061788 0.84 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6062258 0.84 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL2697097 0.84 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL6440654 0.84 ALDH1A1 (0.59) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL9278581 0.83 TSHR (0.80) ALDH1A1TSHRTDP1L3MBTL1CYP3A4
SCHEMBL27933890 0.83 ALDH1A1 (0.58) ALDH1A1TSHRTDP1L3MBTL1CYP3A4

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110997779-A Additive processing of fluoropolymers 3M创新有限公司 2020-04-10 CN disclosed
CN-107690281-A Cystic fibrosis transmembrane transduction modulator modulators 弗特克斯药品有限公司 2018-02-13 CN disclosed
WO-2009054653-A2 ISOINDOLONES WITH HIGH BINDING AFFINITY TO BETA-AMYLOID AGGREGATES AND FIBRILS, AND ITS USE AND PREPARATION METHOD KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-04-30 WO disclosed
CN-101070316-A Diaryl acid derivatives as PPAR receptor ligands AVENTIS PHARMA GMBH (DE) 2007-11-14 CN disclosed
CN-1331862-C Diaryl acid derivatives as PPAR receptor ligands AVENTIS PHARAMCEUTICALS PRODUC (DE) 2007-08-15 CN disclosed
CN-1891689-A Aliphatic nitrogen - containing 5 - membered ring compound TANABE SEIYAKU CO (JP) 2007-01-10 CN disclosed
CN-1257891-C Nitrogenous five-membered ring compound TANABE SEIYAKU CO (JP) 2006-05-31 CN disclosed
CN-1468216-A Nitrogenous five-membered ring compound ������ҩ��ʽ���� 2004-01-14 CN disclosed
CN-1349525-A Diaryl acid derivatives as PPAR receptor ligands AVENTIS PHARAMCEUTICALS PRODUC (BE) 2002-05-15 CN disclosed