SCHEMBL7653950

SCHEMBL7653950

CCOC(=O)c1ccc(C#Cc2cc3c(cc2CC)OCCC3(CC)CC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
KMT2A Q03164 3/20 0.40
LMNA P02545 3/20 0.40
MEN1 O00255 2/20 0.40
USP2 O75604 2/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 2/20 0.39
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
RARG P13631 1/20 0.39
RAB9A P51151 3/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 5/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PRKCA P17252 3/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36

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) MAPTKMT2ALMNAMEN1USP2
SCHEMBL7654470 0.90 MAPT (0.36) MAPTKMT2ALMNAMEN1USP2
SCHEMBL9817647 0.89 RARA (0.46) MAPTKMT2ALMNAMEN1USP2
SCHEMBL7657841 0.88 MAPT (0.38) MAPTKMT2ALMNAMEN1USP2
SCHEMBL10712033 0.87 KMT2A (0.46) MAPTKMT2ALMNAMEN1USP2
SCHEMBL8661172 0.87 FDFT1 (0.39) MAPTRAB9AL3MBTL1SMN1; SMN2ALDH1A1
SCHEMBL7655979 0.85 MAPT (0.37) MAPTKMT2ALMNAMEN1USP2
SCHEMBL8673909 0.85 CYP4F2 (0.39)
SCHEMBL8675114 0.83 CYP4Z1 (0.37) MAPK1ALDH1A1POLBNPSR1
SCHEMBL9817663 0.83 RARA (0.44) MAPTKMT2ALMNAMEN1USP2

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 13 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-0643697-A4 QUATERNARY PYRIDINIUM COMPOUNDS. 1995-04-12 EP disclosed
EP-0643697-A1 QUATERNARY PYRIDINIUM COMPOUNDS GEORGIA TECH RESEARCH CORPORATION (US) 1995-03-22 EP 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-1993024459-A1 QUATERNARY PYRIDINIUM COMPOUNDS GEORGIA TECH RESEARCH CORPORATION (US) 1993-12-09 WO 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