SCHEMBL7657204

SCHEMBL7657204

CCSc1cc2c(cc1C#Cc1cnc(CC(=O)O)nc1)C(SCC)(SCC)CCO2

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP26A1 O43174 1/20 0.31
CYP26B1 Q9NR63 1/20 0.31
RXRA P19793 1/20 0.31
HNF4A P41235 1/20 0.31

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
SCHEMBL6670509 0.91 RXRA (0.38) CYP26A1CYP26B1RXRAHNF4A
SCHEMBL7650596 0.85 CYP26A1 (0.39) CYP26A1CYP26B1RXRAHNF4A
SCHEMBL6664862 0.84 CYP26A1 (0.30) CYP26A1CYP26B1
SCHEMBL8661233 0.83
SCHEMBL6665582 0.82 RXRA (0.35) CYP26A1CYP26B1RXRAHNF4A
SCHEMBL7804401 0.81 CYP26A1 (0.30) CYP26A1CYP26B1
SCHEMBL7655270 0.81 CYP26A1 (0.31) CYP26A1CYP26B1
SCHEMBL7657248 0.80 CYP26A1 (0.31) CYP26A1CYP26B1
SCHEMBL7650613 0.80
SCHEMBL8877098 0.79 AKR1B1 (0.35) CYP26A1CYP26B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6344463-B1 SKIN DISORDERS, ACNE ALLERGAN SALES, INC. 2002-02-05 US disclosed
EP-0636127-B1 Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN INC (US) 2001-04-04 EP disclosed
US-6090826-A Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN SALES, INC. (US) 2000-07-18 US disclosed
US-5663347-A REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION; TREATMENT OF SKIN DISORDERS; ANTICARCINOGNIC AGENTS ALLERGAN (US) 1997-09-02 US disclosed
US-5468879-A Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN, INC. (US) 1995-11-21 US disclosed
EP-0636127-A1 DISUBSTITUTED ACETYLENES BEARING HETEROBICYCLIC GROUPS AND HETEROAROMATIC OR PHENYL GROUPS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC. (US) 1995-02-01 EP disclosed
US-5264578-A Disubstituted acetylenes bearing heterobicyclic groups and heteroaromatic or phenyl groups having retinoid like activity ALLERGAN, INC. (US) 1993-11-23 US disclosed
WO-1993016068-A1 DISUBSTITUTED ACETYLENES BEARING HETEROBICYCLIC GROUPS AND HETEROAROMATIC OR PHENYL GROUPS HAVING RETINOID LIKE ACTIVITY ALLERGAN, INC. (US) 1993-08-19 WO disclosed