SCHEMBL9337024

SCHEMBL9337024

CC1(C)CCSc2cc(C#Cc3ccc(C(=O)O)cn3)ccc21

nearest known ligand 0.84

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.84
CYP26A1 O43174 2/20 0.84
RARB P10826 14/20 0.65
RARG P13631 14/20 0.65
RARA P10276 12/20 0.65
KMT2A Q03164 1/20 0.65
CRABP2 P29373 1/20 0.51
RXRA P19793 5/20 0.43
RXRB P28702 3/20 0.40
RXRG P48443 3/20 0.40
GRM5 P41594 2/20 0.40
PPARG P37231 1/20 0.40

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
Tazarotenic Acid SCHEMBL678713 0.92 CYP3A4 (1.00) CYP3A4CYP26A1RARBRARGRARA
Tazarotenic Acid SCHEMBL29433140 0.92 CYP3A4 (1.00) CYP3A4CYP26A1RARBRARGRARA
Tazarotenic Acid SCHEMBL29466098 0.92 CYP3A4 (1.00) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL9333830 0.87 RARB (0.86) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL9007043 0.86 RARB (0.67) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL5084210 0.84 CYP3A4 (0.72) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL6664628 0.83 CYP3A4 (0.71) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL14330777 0.83 CYP3A4 (0.84) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL5482303 0.82 CYP3A4 (0.83) CYP3A4CYP26A1RARBRARGRARA
SCHEMBL6251130 0.81 CYP3A4 (0.77) CYP3A4CYP26A1RARBRARGRARA

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 2 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
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