SCHEMBL9488403

SCHEMBL9488403

CCc1cc(C#Cc2ccc3c(c2)SC(C)(C)CC3(C)C)ccc1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.43
RARG P13631 14/20 0.43
RARA P10276 12/20 0.43
CYP26A1 O43174 2/20 0.43
CYP3A4 P08684 2/20 0.43
CRABP2 P29373 1/20 0.43
RXRA P19793 4/20 0.36
RXRB P28702 2/20 0.35
RXRG P48443 2/20 0.35
HSPA9 P38646 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
SCHEMBL9337039 0.84 RARB (0.40) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9006875 0.82 RARB (0.64) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9006999 0.82 RARB (0.49) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9006972 0.77 RARB (0.40) RARBRARGRARACYP26A1CYP3A4
SCHEMBL5960214 0.76 RARB (0.35) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9007075 0.76 RARB (0.49) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8772593 0.75 RARB (0.45) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9737688 0.73 RARB (0.39) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9176637 0.72 RARB (0.64) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9006881 0.71 RARG (0.35) RARBRARGRARACYP26A1CYP3A4

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-0571546-A1 CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY. ALLERGAN INC (US) 1993-12-01 EP disclosed