SCHEMBL6593199

SCHEMBL6593199

Cc1ccc(C2=CC(C)(C)Sc3ccc(C#Cc4ccc(C(=O)O)c(F)c4)cc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RARA P10276 18/20 0.49
RARB P10826 18/20 0.49
RARG P13631 17/20 0.49
SMN1; SMN2 Q16637 1/20 0.33
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32

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
SCHEMBL6594047 0.88 RARA (0.42) RARARARBRARG
SCHEMBL6589951 0.85 RARA (0.64) RARARARBRARG
SCHEMBL6592216 0.84 RARA (0.40) RARARARBRARGSMN1; SMN2
SCHEMBL6587113 0.80 RARA (0.60) RARARARBRARG
SCHEMBL6592120 0.80 RARA (0.52) RARARARBRARG
SCHEMBL8330182 0.79 RARA (0.47) RARARARBRARGSMN1; SMN2
SCHEMBL6590791 0.79 RARA (0.53) RARARARBRARG
SCHEMBL13784637 0.78 RARA (0.42) RARARARBRARGSMN1; SMN2FFAR1
SCHEMBL6588111 0.77 RARA (0.48) RARARARBRARG
SCHEMBL726359 0.76 RARA (0.60) RARARARBRARG

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 3 patents. 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
EP-1042313-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY Allergan Sales, Inc. (US) 2000-10-11 EP disclosed
WO-1999033821-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY ALLERGAN SALES, INC. (US) 1999-07-08 WO disclosed