SCHEMBL9337039

SCHEMBL9337039

CCc1nc(C#Cc2ccc3c(c2)SC(C)(C)CC3(C)C)ccc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 15/20 0.40
RARG P13631 15/20 0.40
RARA P10276 13/20 0.40
CYP3A4 P08684 3/20 0.40
CYP26A1 O43174 2/20 0.40
CRABP2 P29373 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37

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
SCHEMBL9488403 0.84 RARB (0.43) RARBRARGRARACYP3A4CYP26A1
SCHEMBL9333999 0.84 RARB (0.56) RARBRARGRARACYP3A4CYP26A1
SCHEMBL9318560 0.83 RARB (0.56) RARBRARGRARACYP3A4CYP26A1
SCHEMBL9334964 0.80 GABRP (0.37) RARBRARGRARACYP3A4CYP26A1
SCHEMBL30061258 0.78 RARB (0.66) RARBRARGRARACYP3A4CYP26A1
SCHEMBL4300903 0.78 RARB (0.66) RARBRARGRARACYP3A4CYP26A1
SCHEMBL9526910 0.77 RARB (0.37) RARBRARGRARACYP3A4CYP26A1
SCHEMBL9006875 0.76 RARB (0.64) RARBRARGRARACYP3A4CYP26A1
SCHEMBL6445988 0.74 RARB (0.44) RARBRARGRARACYP3A4CYP26A1
SCHEMBL8037152 0.74 RARA (0.52) RARBRARGRARACYP3A4CYP26A1

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
US-5346895-A Treating dermatoses, immunological disorders, wound healing ALLERGAN, INC. (US) 1994-09-13 US disclosed
EP-0577737-A1 CHROMANS AND THIOCHROMANS WITH HETEROARYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 1994-01-12 EP disclosed
WO-1992017471-A1 CHROMANS AND THIOCHROMANS WITH HETEROARYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 1992-10-15 WO disclosed