SCHEMBL8865396

SCHEMBL8865396

CCOC(=O)CCCCc1ccc(C#Cc2cc3c(cc2CC)OC(C)(C)CC3(C)C)s1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
FFAR1 O14842 1/20 0.32
HPGD P15428 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL8865451 0.94 CYP4F2 (0.34) CYP4F2CYP4A11FFAR1HPGDALDH1A1
SCHEMBL8865421 0.92 CYP4F2 (0.32) CYP4F2CYP4A11FFAR1HPGDKDM4E
SCHEMBL8865158 0.89 KDM4E (0.33) HPGDKDM4EALDH1A1GAACASP1
SCHEMBL8865483 0.89 CYP4F2 (0.31) CYP4F2CYP4A11
SCHEMBL6670597 0.86 RXRA (0.36) CYP4F2CYP4A11FFAR1HPGD
SCHEMBL8865450 0.86 KMT2A (0.35) CYP4F2CYP4A11HPGDKDM4EALDH1A1
SCHEMBL8865043 0.86 AKT1 (0.31) HPGDKDM4EALDH1A1GAACASP1
SCHEMBL8865478 0.85 CYP4F2 (0.34) CYP4F2CYP4A11FFAR1HPGD
SCHEMBL8865653 0.85
SCHEMBL9176702 0.84 CYP4Z1 (0.37) CYP4F2CYP4A11FFAR1HPGDKDM4E

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-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
US-5272156-A Acetylenes disubstituted with a heteroaromatic group and a 2-substituted 1,2,3,4-tetrahydroquinolinyl group having retinoid-like activity ALLERGAN, INC. (US) 1993-12-21 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