SCHEMBL8921601

SCHEMBL8921601

CCOCOc1c(C(C)(C)C)cc(SCCOc2ccc(OC(C)(C)C(=O)OCC)cc2)cc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.46
ABCB11 O95342 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 1/20 0.46
PMP22 Q01453 1/20 0.46
FBP1 P09467 10/20 0.42
PPARG P37231 4/20 0.37
CNR1 P21554 1/20 0.34
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
RAB9A P51151 2/20 0.33
EPHX2 P34913 1/20 0.33
TP53 P04637 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8767368 0.90 PPARG (0.42) PPARAPPARG
SCHEMBL8922447 0.88 PPARA (0.51) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL8921956 0.80 PPARA (0.46) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL8768079 0.77 PPARG (0.46) PPARACYP1A2CYP3A4PPARGMAPT
SCHEMBL9234359 0.76 POLB (0.34) PPARAPPARGNPC1MAPTRAB9A
SCHEMBL8768656 0.75 VCAM1 (0.36) MAPT
SCHEMBL8767371 0.74 PPARG (0.40) PPARAPPARG
SCHEMBL8767310 0.74 PPARA (0.47) PPARAPPARG
SCHEMBL13905182 0.73 PPARA (0.68) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL9234356 0.73 MAPT (0.34) PPARANPC1MAPTRAB9AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5627205-A ANTILIPEMIC AGENTS AND ANTIOXIDANTS ADIR ET COMPAGNIE (FR) 1997-05-06 US disclosed
US-5512595-A FOR SUPPRESSION OF MEMBRANE LIPID PEROXIDATION, ANTILIPEMIC AGENTS ADIR ET COMPAGNIE (FR) 1996-04-30 US disclosed