SCHEMBL6544223

SCHEMBL6544223

CC(C)(C)c1cc(OCc2ccccc2)c(C(C)(C)C)cc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
ALOX15 P16050 2/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.53
CYP3A4 P08684 1/20 0.53
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
ALOX5AP P20292 1/20 0.48
MAPT P10636 3/20 0.47
CYP1A2 P05177 2/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ATP2A2 P16615 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ATP2A3 Q93084 1/20 0.47
LIPE Q05469 1/20 0.45
MAPK1 P28482 1/20 0.45
TDP1 Q9NUW8 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
SCHEMBL4642584 0.83 ALOX5AP (0.55) LMNAALOX15HPGDTP53RXRA
SCHEMBL7711466 0.83 RXRA (0.55) LMNAALOX15RXRARXRBRXRG
SCHEMBL14112764 0.83 ALOX5AP (0.49) HPGDCYP3A4RXRARXRBRXRG
SCHEMBL18573039 0.81 ALOX15 (0.46) LMNAALOX15HPGDTP53CYP3A4
SCHEMBL6544788 0.81 RXRA (0.53) HPGDRXRARXRBRXRGALOX5AP
SCHEMBL6530691 0.80 PTGDR2 (0.56) LMNARXRARXRBRXRGALDH1A1
SCHEMBL18617996 0.78 ALOX5AP (0.54) RXRARXRBRXRGALOX5APMAPT
SCHEMBL13021506 0.78 MAOB (0.56) LMNAALOX15MAPTCYP1A2ALDH1A1
SCHEMBL384045 0.78 RXRA (0.57) RXRARXRBRXRGALOX5APMRGPRX4
SCHEMBL7518959 0.77 ALOX15 (0.45) LMNAALOX15HPGDTP53CYP3A4

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