SCHEMBL6544788

SCHEMBL6544788

CC(=O)Oc1cc(C(C)(C)C)c(OCc2ccccc2)cc1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
PTPN1 P18031 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.50
BRD4 O60885 1/20 0.47
ALDH1A1 P00352 2/20 0.46
ALOX5AP P20292 1/20 0.45
FOLH1 Q04609 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
PTGS2 P35354 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ESR1 P03372 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
HMGB1 P09429 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
GGT1 P19440 1/20 0.44
PTGS1 P23219 1/20 0.44

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
SCHEMBL384045 0.83 RXRA (0.57) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL384092 0.82 MAOB (0.55) RXRARXRBRXRGMRGPRX4BRD4
SCHEMBL6544223 0.81 LMNA (0.53) RXRARXRBRXRGPTPN1MRGPRX4
SCHEMBL12659913 0.81 RXRA (0.58) RXRARXRBRXRGMRGPRX4ALDH1A1
SCHEMBL1115032 0.80 PTPN1 (0.61) RXRARXRBRXRGPTPN1MRGPRX4
SCHEMBL12659914 0.80 RXRA (0.53) RXRARXRBRXRGPTPN1MRGPRX4
SCHEMBL14112764 0.79 ALOX5AP (0.49) RXRARXRBRXRGALDH1A1ALOX5AP
SCHEMBL8908814 0.79 RXRA (0.63) RXRARXRBRXRGMRGPRX4BRD4
SCHEMBL7516405 0.79 KDM4E (0.40) RXRARXRBRXRGPTPN1ALDH1A1
SCHEMBL5030365 0.77 RXRA (0.72) RXRARXRBRXRGMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1255386-C Substituted fused heterocyclic compound SANKYO CO (JP) 2006-05-10 CN disclosed
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
CN-1280570-A Substituted fused heterocyclic compounds SANKYO CO (JP) 2001-01-17 CN disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed