SCHEMBL8331104

SCHEMBL8331104

C#Cc1c(C(=O)O)cccc1-c1ccc2c(c1)C(c1ccc(CC)cc1)=CC(C)(C)O2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RARA P10276 4/20 0.41
RARB P10826 4/20 0.41
RARG P13631 4/20 0.41
LTB4R2 Q9NPC1 4/20 0.34
PPARA Q07869 1/20 0.33
PPARG P37231 1/20 0.33
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
OPRD1 P41143 7/20 0.32
KCNH2 Q12809 6/20 0.32
OPRK1 P41145 1/20 0.32
PTPN11 Q06124 1/20 0.32
CYP2D6 P10635 4/20 0.32
OPRM1 P35372 1/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL8332455 0.92 RARA (0.44) RARARARBRARGLTB4R2PPARA
SCHEMBL8331802 0.90 RARA (0.52) RARARARBRARGLTB4R2PPARG
SCHEMBL8335176 0.88 RARB (0.41) RARARARBRARGPPARAPPARG
SCHEMBL8329425 0.88 RARA (0.41) RARARARBRARGLTB4R2OPRD1
SCHEMBL6592227 0.76 RARB (0.46) RARARARBRARGPPARAPPARG
SCHEMBL6596504 0.74 RARA (0.60) RARARARBRARG
SCHEMBL24727655 0.73 RARB (0.52) RARARARBRARGOPRD1KCNH2
SCHEMBL8333207 0.70 RARB (0.38) RARARARBRARGRAB9ASMN1; SMN2
SCHEMBL8331248 0.69 RARB (0.38) RARARARBRARG
SCHEMBL6590527 0.68 RARA (0.48) RARARARBRARGPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed