SCHEMBL7654470

SCHEMBL7654470

CCCCCCc1cc2c(cc1C#Cc1ccc(C(=O)OCC)cc1)C(CC)(CC)CCO2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
USP2 O75604 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
CYP3A4 P08684 1/20 0.36
RARA P10276 1/20 0.36
RAB9A P51151 3/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
ALDH1A1 P00352 4/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 3/20 0.33
PRKCG P05129 1/20 0.33

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
SCHEMBL7658204 0.93 KMT2A (0.38) MAPTKMT2AMEN1USP2LMNA
SCHEMBL9817799 0.90 RARB (0.42) MAPTKMT2AMEN1USP2LMNA
SCHEMBL7653950 0.90 MAPT (0.40) MAPTKMT2AMEN1USP2LMNA
SCHEMBL7652366 0.88 KMT2A (0.44) MAPTKMT2AMEN1USP2LMNA
SCHEMBL8662753 0.88 FDFT1 (0.36) MAPTPRKCA
SCHEMBL8673367 0.87 CYP4F2 (0.35) PRKCA
SCHEMBL7656351 0.86 MAPT (0.35) MAPTKMT2AMEN1USP2LMNA
SCHEMBL7649136 0.84 ALDH1A1 (0.40) RARBRARGALDH1A1HSD17B10HPGD
SCHEMBL7656345 0.83 RARB (0.45) MAPTKMT2ALMNARARBRARG
SCHEMBL9817663 0.83 RARA (0.44) MAPTKMT2AMEN1USP2LMNA

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