SCHEMBL7657127

SCHEMBL7657127

CCC1(CC)CCOc2cc(SC)c(C#Cc3ccc(CC(=O)O)s3)cc21

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL6664869 0.88 AKR1B1 (0.31) AKR1B1FFAR1
SCHEMBL7654408 0.88 FFAR1 (0.33) AKR1B1FFAR1
SCHEMBL7660677 0.87
SCHEMBL7651235 0.82 CYP4F2 (0.30)
SCHEMBL6668788 0.82 CYP26A1 (0.39) AKR1B1FFAR1
SCHEMBL7653071 0.82 FFAR1 (0.32) FFAR1
SCHEMBL8664822 0.81
SCHEMBL7650605 0.81 AKR1B1 (0.30) AKR1B1
SCHEMBL7657077 0.81 AKR1B1 (0.30) AKR1B1
SCHEMBL7657248 0.80 CYP26A1 (0.31)

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 7 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
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