SCHEMBL9270697

SCHEMBL9270697

CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCC3(C)C)nc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 9/20 0.77
RARB P10826 7/20 0.77
RARA P10276 6/20 0.77
RARG P13631 4/20 0.77
KMT2A Q03164 1/20 0.77
CYP26A1 O43174 8/20 0.57
CRABP2 P29373 1/20 0.54
CYP26B1 Q9NR63 3/20 0.42
RXRA P19793 4/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 3/20 0.42
HNF4A P41235 1/20 0.39

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
SCHEMBL8669861 0.88 RARB (0.72) CYP3A4RARBRARARARGKMT2A
Tazarotene SCHEMBL3134 0.87 RARA (1.00) CYP3A4RARBRARARARGKMT2A
Tazarotene SCHEMBL5747908 0.87 RARA (1.00) CYP3A4RARBRARARARGKMT2A
SCHEMBL1485972 0.87 RARA (0.70) CYP3A4RARBRARARARGKMT2A
Tazarotene SCHEMBL29397163 0.87 RARA (1.00) CYP3A4RARBRARARARGKMT2A
SCHEMBL9333830 0.87 RARB (0.86) CYP3A4RARBRARARARGKMT2A
Tazarotene SCHEMBL29512592 0.87 RARA (1.00) CYP3A4RARBRARARARGKMT2A
SCHEMBL19342983 0.87 CYP3A4 (0.59) CYP3A4RARBRARARARGKMT2A
SCHEMBL9484975 0.86 RARB (0.67) CYP3A4RARBRARARARGKMT2A
SCHEMBL7642408 0.86 RARB (0.69) CYP3A4RARBRARARARGKMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284261-B1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN INC (US) 1994-01-05 EP claimed
US-5149705-A Treatment of psoriasis ALLERGAN, INC. (US) 1992-09-22 US claimed
EP-0284261-A1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN, INC (US) 1988-09-28 EP claimed
US-5466690-A Treating psoriasis ALLERGAN, INC. (US) 1995-11-14 US disclosed
US-5354776-A Treating psoriasis ALLERGAN, INC. (US) 1994-10-11 US disclosed
EP-0284261-B1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN INC (US) 1994-01-05 EP disclosed
US-5246962-A Psoriasis, skin disorders ALLERGAN, INC. (US) 1993-09-21 US disclosed
US-5149705-A Treatment of psoriasis ALLERGAN, INC. (US) 1992-09-22 US disclosed
EP-0284261-A1 Acetylenes disubstituted with a heteroaromatic group and a tetralin group having retinoid like activity ALLERGAN, INC (US) 1988-09-28 EP disclosed