SCHEMBL9176702

SCHEMBL9176702

CCOC(=O)CCCCc1ccc(C#Cc2cc3c(cc2CC)OC(C)(C)CC3(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4Z1 Q86W10 2/20 0.37
FFAR1 O14842 5/20 0.35
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
MGLL Q99685 2/20 0.34
FAAH O00519 1/20 0.34
CYP4F11 Q9HBI6 1/20 0.34
CYP4F12 Q9HCS2 1/20 0.34
ALOX5 P09917 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCD Q05655 1/20 0.32
CHRM2 P08172 1/20 0.32
S1PR1 P21453 1/20 0.32
FPR1 P21462 1/20 0.32
FPR3 P25089 1/20 0.32
GPR183 P32249 1/20 0.32
APLNR P35414 1/20 0.32

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
SCHEMBL9180700 0.92 FFAR1 (0.38) CYP4Z1FFAR1CYP4F2CYP4A11MGLL
SCHEMBL9701372 0.89 FFAR1 (0.44) FFAR1CHRM2S1PR1FPR1FPR3
SCHEMBL9177457 0.88 CYP4Z1 (0.40) CYP4Z1FFAR1CYP4F2CYP4A11MGLL
SCHEMBL8865475 0.88 CYP3A4 (0.36) CYP4Z1FFAR1CYP4F2CYP4A11MGLL
SCHEMBL8865696 0.86 CYP4F2 (0.34) CYP4Z1CYP4F2CYP4A11GAAKDM4E
SCHEMBL9178153 0.85 FFAR1 (0.42) CYP4Z1FFAR1CYP4F2CYP4A11CHRM2
SCHEMBL8865396 0.84 CYP4F2 (0.34) FFAR1CYP4F2CYP4A11GAAKDM4E
SCHEMBL8865358 0.83 CYP4F2 (0.33) CYP4F2CYP4A11GAAKDM4EALDH1A1
SCHEMBL9282160 0.82 CYP4F2 (0.38) CYP4Z1FFAR1CYP4F2CYP4A11CHRM2
SCHEMBL9179250 0.82 RARA (0.42) PRKCGPRKCBPRKCAPRKCEPRKCD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419131-B1 Acetylenes disubstituted with a phenyl group and a 2-substituted chromanyl, thiochromanyl or 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity ALLERGAN INC (US) 1995-07-05 EP disclosed
US-5278318-A Acetylation under Friedel Crafts condition ALLERGAN, INC. (US) 1994-01-11 US disclosed
EP-0553156-A4 CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY 1993-11-18 EP disclosed
EP-0553156-A1 CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1993-08-04 EP disclosed
US-5162546-A ACETYLENES DISUBSTITUTED WITH A PHENYL GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1992-11-10 US disclosed
EP-0419131-A2 Acetylenes disubstituted with a phenyl group and a 2-substituted chromanyl, thiochromanyl or 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity ALLERGAN, INC. (US) 1991-03-27 EP disclosed
US-4980369-A ANTIARTHRITIC AGENTS, SKIN DISORDERS, ANTIULCER AGENTS, WOUND HEALING AGENTS ALLERGAN, INC. (US) 1990-12-25 US disclosed