SCHEMBL8875604

SCHEMBL8875604

CCCCCCSc1cc2c(cc1C#Cc1cnc(CC(=O)O)cn1)C(C)(C)CC(C)(C)O2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ AKR1B1 P15121 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
SCHEMBL8876426 0.91 AKR1B1 (0.34) AKR1B1
SCHEMBL9842984 0.91 PPARA (0.36) —
SCHEMBL6667681 0.87 CYP26A1 (0.33) —
SCHEMBL8874497 0.87 AKR1B1 (0.31) AKR1B1
SCHEMBL8875072 0.86 PTGDR2 (0.36) AKR1B1
SCHEMBL8876266 0.85 AKR1B1 (0.32) AKR1B1
SCHEMBL8864989 0.85 PRKCA (0.30) —
SCHEMBL8865029 0.83 — —
SCHEMBL8875640 0.83 AKR1B1 (0.35) AKR1B1
SCHEMBL9843105 0.82 PPARA (0.32) AKR1B1

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
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