SCHEMBL6592227

SCHEMBL6592227

CCc1ccc(C2=CC(C)(C)Oc3ccc(C#Cc4ccc(C(=O)O)c(F)c4)cc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.46
RARA P10276 12/20 0.46
RARG P13631 11/20 0.46
PPARA Q07869 1/20 0.35
PPARG P37231 1/20 0.35
CYP2D6 P10635 1/20 0.35
OPRD1 P41143 1/20 0.35
KCNH2 Q12809 1/20 0.35
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HIF1A Q16665 1/20 0.34
RXRA P19793 1/20 0.33
ACACB O00763 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
SCHEMBL6590206 0.92 RARA (0.40) RARBRARARARGPPARAPPARG
SCHEMBL6592120 0.90 RARA (0.52) RARBRARARARGPPARG
SCHEMBL6596504 0.87 RARA (0.60) RARBRARARARGRXRA
SCHEMBL6587693 0.85 RARA (0.45) RARBRARARARGPPARACYP2D6
SCHEMBL6590527 0.80 RARA (0.48) RARBRARARARGPPARAPPARG
SCHEMBL8331104 0.76 RARA (0.41) RARBRARARARGPPARAPPARG
SCHEMBL6593231 0.75 RARA (0.67) RARBRARARARG
SCHEMBL6592317 0.75 RARA (0.56) RARBRARARARGOPRD1
SCHEMBL8125785 0.74 RARA (0.42) RARBRARARARGPPARAKCNH2
SCHEMBL24727649 0.73 RARB (0.52) RARBRARARARGCYP2D6OPRD1

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
EP-1042313-B1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY ALLERGAN INC (US) 2004-04-28 EP disclosed