SCHEMBL8875422

SCHEMBL8875422

CCCCCCc1cc2c(cc1C#Cc1ccc(CC(=O)O)s1)C(C)(C)CC(C)(C)S2

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.33
OXER1 Q8TDS5 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL9843046 0.91 POLB (0.40) FFAR1OXER1ALDH1A1
SCHEMBL8877011 0.90 FFAR1 (0.34) FFAR1RARARARBRARG
SCHEMBL8865032 0.90 AKT1 (0.31) RARARARBRARG
SCHEMBL6665663 0.86 RARB (0.34) FFAR1OXER1RARARARBRARG
SCHEMBL8876080 0.86 AKR1B1 (0.33) FFAR1OXER1ALDH1A1PTGDR2
SCHEMBL8865646 0.85 CYP4F2 (0.34) FFAR1RARARARBRARG
SCHEMBL8876691 0.84 RARA (0.34) FFAR1RARARARBRARG
SCHEMBL8875643 0.83 ALDH1A1 (0.32) RARARARBRARGALDH1A1PTGDR2
SCHEMBL8865012 0.82 RARA (0.31) RARARARBRARG
SCHEMBL6668958 0.81 CYP26A1 (0.37) FFAR1OXER1RARARARBRARG

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-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