SCHEMBL7654864

SCHEMBL7654864

CCCSC1(SCCC)CCOc2ccc(C#Cc3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RARB P10826 17/20 0.49
RARG P13631 17/20 0.49
RARA P10276 13/20 0.49
CYP26A1 O43174 1/20 0.49
CYP3A4 P08684 1/20 0.49
CRABP2 P29373 1/20 0.49
RXRA P19793 1/20 0.39
HNF4A P41235 1/20 0.39
SSTR5 P35346 2/20 0.37

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
SCHEMBL7655988 0.88 KMT2A (0.44) RARBRARGRARACYP26A1CYP3A4
SCHEMBL9817651 0.86 RARB (0.53) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8659339 0.83 NPC1 (0.36) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7655238 0.82 RARB (0.42) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7650779 0.81
SCHEMBL7650875 0.80 MAP3K14 (0.31)
SCHEMBL6037049 0.80 RARB (0.67) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7656508 0.80 CYP3A4 (0.58) RARBRARGRARACYP26A1CYP3A4
SCHEMBL8671496 0.79 KMT2A (0.45) RARBRARGRARACYP26A1CYP3A4
SCHEMBL7143159 0.79 RARB (0.55) RARBRARGRARACYP26A1CYP3A4

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