SCHEMBL11565453

SCHEMBL11565453

COC(=O)C(Oc1cccc(C(C)(C)C)c1)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.54
SLC22A12 Q96S37 1/20 0.53
F9 P00740 2/20 0.47
F10 P00742 2/20 0.47
RAF1 P04049 1/20 0.41
PPARA Q07869 4/20 0.39
UTS2R Q9UKP6 2/20 0.38
P2RX1 P51575 1/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
ACACB O00763 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36

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
SCHEMBL11563277 0.92 PPARG (0.43) PPARGSLC22A12F9F10RAF1
SCHEMBL11564365 0.91 PPARG (0.45) PPARGSLC22A12F9F10PPARA
SCHEMBL11563520 0.90 PPARG (0.69) PPARGSLC22A12F9F10PPARA
SCHEMBL11566210 0.89 PPARG (0.54) PPARGSLC22A12F9F10RAF1
SCHEMBL11567624 0.88 POLB (0.44) PPARGSLC22A12F9F10UTS2R
SCHEMBL11568422 0.88 POLB (0.44) PPARGSLC22A12F9F10UTS2R
SCHEMBL11562673 0.88 PPARG (0.66) PPARGSLC22A12F9F10PPARA
SCHEMBL11566988 0.87 F9 (0.51) PPARGSLC22A12F9F10PPARA
SCHEMBL11584758 0.85 PPARG (0.53) PPARGSLC22A12PPARA
SCHEMBL14541455 0.84 PPARG (0.75) PPARGSLC22A12F9F10PPARA

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-4168385-A LOWERING OF STEROL AND TRIGLYCERIDE SERUM LEVELS AMERICAN CYANAMID COMPANY (US) 1979-09-18 US disclosed
US-4125729-A Hypolipemic α-aryloxy para substituted phenyl acetic acid compounds AMERICAN CYANAMID COMPANY (US) 1978-11-14 US disclosed