SCHEMBL7656545

SCHEMBL7656545

CCOC(=O)CCCCc1ccc(C#Cc2cc3c(cc2C)OCCC3(CC)CC)nn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
TBXAS1 P24557 1/20 0.31
CYP3A4 P08684 1/20 0.30
RARA P10276 1/20 0.30
RARB P10826 1/20 0.30
RARG P13631 1/20 0.30
KMT2A Q03164 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
SCHEMBL7656124 0.93 CYP4F2 (0.33) CYP4F2CYP4A11TBXAS1
SCHEMBL6669533 0.91 RXRA (0.36) CYP4F2CYP4A11TBXAS1CYP3A4RARA
SCHEMBL7654490 0.90
SCHEMBL7693405 0.90 CYP4F2 (0.33) CYP4F2CYP4A11TBXAS1
SCHEMBL8659868 0.89 CYP3A4 (0.32) CYP3A4RARARARBRARGKMT2A
SCHEMBL7657991 0.88 CYP3A4 (0.38) CYP4F2CYP4A11CYP3A4RARARARB
SCHEMBL7652976 0.88 TBXAS1 (0.30) TBXAS1
SCHEMBL7650442 0.87 CYP3A4 (0.34) CYP4F2CYP4A11TBXAS1CYP3A4RARA
SCHEMBL7652223 0.86 ALDH1A1 (0.32) KMT2A
SCHEMBL7654485 0.85 CYP3A4 (0.37) CYP4F2CYP4A11TBXAS1CYP3A4RARA

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