SCHEMBL8329424

SCHEMBL8329424

CC(C)c1ccc(C2=CC(C)(C)Oc3ccc(C#COC(=O)c4ccccc4)cc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARA P10276 10/20 0.42
RARB P10826 10/20 0.42
RARG P13631 10/20 0.42
PTPN1 P18031 1/20 0.36
OPRD1 P41143 3/20 0.34
KCNH2 Q12809 3/20 0.34
OPRK1 P41145 1/20 0.34
CYP2D6 P10635 2/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
PPARG P37231 1/20 0.31
MRGPRX4 Q96LA9 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
SCHEMBL8335174 0.87 RARB (0.42) RARARARBRARGPTPN1OPRD1
SCHEMBL6593233 0.83 RARA (0.60) RARARARBRARG
SCHEMBL6590162 0.82 RARA (0.46) RARARARBRARGMAPTLMNA
SCHEMBL8329422 0.81 RARA (0.44) RARARARBRARGMMP2MMP9
SCHEMBL6589881 0.76 RARA (0.45) RARARARBRARGPTPN1MAPT
SCHEMBL6592317 0.75 RARA (0.56) RARARARBRARGOPRD1
SCHEMBL8328656 0.72 RARB (0.48) RARARARBRARG
SCHEMBL6593231 0.72 RARA (0.67) RARARARBRARG
SCHEMBL6596504 0.71 RARA (0.60) RARARARBRARG
SCHEMBL24727736 0.71 RARA (0.52) RARARARBRARGOPRD1KCNH2

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