SCHEMBL8865780

SCHEMBL8865780

CCOC(=O)CCCCc1ccc(C#Cc2cc3c(cc2C)OC(C)(C)CC3(C)C)o1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP4Z1 Q86W10 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
SCHEMBL8865696 0.92 CYP4F2 (0.34) CYP4F2CYP4A11MEN1MAPTKMT2A
SCHEMBL8866020 0.90 CYP4F2 (0.31) CYP4F2CYP4A11MEN1MAPTKMT2A
SCHEMBL8865633 0.89 CYP4F2 (0.34) CYP4F2CYP4A11ALDH1A1
SCHEMBL8865169 0.87 KDM4E (0.33) CYP4F2CYP4A11MEN1MAPTKMT2A
SCHEMBL6665834 0.86 RXRA (0.37) CYP4F2CYP4A11MEN1MAPTKMT2A
SCHEMBL8865642 0.86 EPHX2 (0.30)
SCHEMBL9180700 0.86 FFAR1 (0.38) CYP4F2CYP4A11CYP4Z1
SCHEMBL8866010 0.84 CYP4F2 (0.32) CYP4F2CYP4A11MEN1MAPTKMT2A
SCHEMBL8865421 0.83 CYP4F2 (0.32) CYP4F2CYP4A11MEN1MAPTKMT2A
SCHEMBL8865303 0.82 CYP3A4 (0.36) CYP4F2CYP4A11KMT2AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5677323-A SKIN DISORDERS, PSORIASIS ALLERGAN (US) 1997-10-14 US disclosed
US-5616597-A ANTIACNE, ANTIPSORIASIS COMPOUNDS ALLERGAN (US) 1997-04-01 US disclosed
US-5599819-A SKIN DISORDERS ALLERGAN 1997-02-04 US disclosed
US-5534516-A Acetylenes disubstituted with a heteroaromatic group and a 2-substituted chromanyl, thiochromanyl or 1, 2, 3, 4-tetrahydroquinolinyl group having retinoid-like activity ALLERGAN 1996-07-09 US disclosed
EP-0419130-B1 Acetylenes disubstituted with a heteroaromatic group and A 2-substituted chromanyl, thiochromanyl or 1,2,3,4- tetrahydroquinolinyl group having retinoid-like activity ALLERGAN INC (US) 1995-11-15 EP disclosed
US-5407937-A Skin disorders, skin cancer ALLERGAN, INC. (US) 1995-04-18 US disclosed
EP-0555235-A4 ACETYLENES DISUBSTITUTED WITH A HETEROAROMATIC GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY 1993-11-10 EP disclosed
EP-0555235-A1 ACETYLENES DISUBSTITUTED WITH A HETEROAROMATIC GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1993-08-18 EP disclosed
US-5183827-A Skin disorders ALLERGAN, INC. (US) 1993-02-02 US disclosed
WO-1992006092-A1 ACETYLENES DISUBSTITUTED WITH A HETEROAROMATIC GROUP AND A 2-SUBSTITUTED CHROMANYL, THIOCHROMANYL OR 1,2,3,4-TETRAHYDROQUINOLINYL GROUP HAVING RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1992-04-16 WO disclosed
US-5045551-A Acetylenes disubstituted with a heteroaromatic group and a 2-substituted chromanyl, thiochromanyl or 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity ALLERGAN, INC. (US) 1991-09-03 US disclosed
EP-0419130-A2 Acetylenes disubstituted with a heteroaromatic 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