SCHEMBL7651219

SCHEMBL7651219

CCOC(=O)CCCCc1ccc(C#Cc2cc3c(cc2CC)SCCC3(CC)CC)s1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
FFAR1 O14842 1/20 0.32
HPGD P15428 1/20 0.31
CYP4Z1 Q86W10 1/20 0.31
CYP3A4 P08684 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
KMT2A Q03164 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
SCHEMBL7657295 0.94 CYP4F2 (0.34) CYP4F2CYP4A11FFAR1HPGD
SCHEMBL7651231 0.93 CYP4F2 (0.32) CYP4F2CYP4A11HPGDCYP4Z1CYP3A4
SCHEMBL6666479 0.91 RARA (0.39) CYP4F2CYP4A11FFAR1HPGDCYP4Z1
SCHEMBL8659645 0.89 CYP3A4 (0.33) CYP3A4RARARARBRARGKMT2A
SCHEMBL7656245 0.86 CYP4F2 (0.33) CYP4F2CYP4A11FFAR1HPGD
SCHEMBL8660140 0.85 AKT1 (0.31)
SCHEMBL8662589 0.84 CYP4Z1 (0.39) CYP4F2CYP4A11FFAR1CYP4Z1CYP3A4
SCHEMBL6665048 0.84 RARA (0.37) CYP4F2CYP4A11FFAR1HPGDCYP3A4
SCHEMBL7655963 0.84 CYP4F2 (0.33) CYP4F2CYP4A11CYP4Z1CYP3A4RARA
SCHEMBL6665864 0.84 RARA (0.39) CYP4F2CYP4A11FFAR1HPGDCYP4Z1

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 10 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-5750693-A THIOCHROMANYL OR CHROMANYL COMPOUNDS AS ANTICARCINOGINIC AGENTS, SKIN DISORDERS AND ATHEROSCLEROSIS ALLERGAN (US) 1998-05-12 US disclosed
US-5677451-A CONTROLLING CELL DIFFERENTIATION; SKIN DISORDERS; ANTICANCER AGENTS ALLERGAN (US) 1997-10-14 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