SCHEMBL9333830

SCHEMBL9333830

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)SCCC3(C)C)nc1

nearest known ligand 0.86

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 13/20 0.86
RARA P10276 12/20 0.86
RARG P13631 10/20 0.86
CYP3A4 P08684 3/20 0.86
KMT2A Q03164 1/20 0.86
CYP26A1 O43174 2/20 0.65
CRABP2 P29373 1/20 0.39
GRM5 P41594 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXRA P19793 2/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35

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
Tazarotene SCHEMBL5747908 0.92 RARA (1.00) RARBRARARARGCYP3A4KMT2A
Tazarotene SCHEMBL29397163 0.92 RARA (1.00) RARBRARARARGCYP3A4KMT2A
Tazarotene SCHEMBL29512592 0.92 RARA (1.00) RARBRARARARGCYP3A4KMT2A
Tazarotene SCHEMBL3134 0.92 RARA (1.00) RARBRARARARGCYP3A4KMT2A
Tazarotene SCHEMBL6101987 0.91 RARA (0.98) RARBRARARARGCYP3A4KMT2A
SCHEMBL9007003 0.88 RARB (0.66) RARBRARARARGCYP3A4KMT2A
Tazarotene SCHEMBL6841186 0.87 RARB (0.90) RARBRARARARGCYP3A4KMT2A
SCHEMBL9270697 0.87 CYP3A4 (0.77) RARBRARARARGCYP3A4KMT2A
SCHEMBL9337024 0.87 CYP3A4 (0.84) RARBRARARARGCYP3A4KMT2A
Tazarotene SCHEMBL995330 0.87 RARB (0.88) RARBRARARARGCYP3A4KMT2A

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