SCHEMBL8563905

SCHEMBL8563905

CCC(O)(CC)CC(C)(C)c1cc(Br)ccc1S

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL8565968 0.85 PTGDR2 (0.36) PTGDR2
SCHEMBL9006930 0.72 PTGDR2 (0.33) PTGDR2
SCHEMBL27324930 0.70 PTGDR2 (0.32) PTGDR2
SCHEMBL5736125 0.67 ALOX15 (0.41) PTGDR2
SCHEMBL6452950 0.66 ALOX15 (0.43) PTGDR2
SCHEMBL30978728 0.66 KDM1A (0.47) —
SCHEMBL30978721 0.66 KDM1A (0.47) —
SCHEMBL695877 0.66 KDM1A (0.47) —
SCHEMBL21750713 0.65 ALDH1A1 (0.50) —
SCHEMBL22140212 0.65 KDM1A (0.40) PTGDR2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5717094-A 6-THIOCHROMANYL-ETHYNE, 6-CHROMANYL ETHYNE AND 6-TETRAHYDROQUINOLINYL ETHYNE OR THEIR METAL SALTS ARE REACTED WITH SUITABLE HALO SUBSTITUTED PHENYL OR HETEROARYL COMPUNDS ALLERGAN (US) 1998-02-10 — — US disclosed
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
EP-0419132-B1 Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological activity ALLERGAN INC (US) 1995-09-06 — — EP disclosed
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-5407937-A Skin disorders, skin cancer ALLERGAN, INC. (US) 1995-04-18 — — US disclosed
US-5278318-A Acetylation under Friedel Crafts condition ALLERGAN, INC. (US) 1994-01-11 — — US disclosed
EP-0553156-A1 CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1993-08-04 — — EP disclosed
US-5183827-A Skin disorders ALLERGAN, INC. (US) 1993-02-02 — — US 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
WO-1992006084-A1 CHROMANS AND THIOCHROMANS WITH RETINOID-LIKE ACTIVITY ALLERGAN, INC. (US) 1992-04-16 — — WO 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-5053523-A Chemical intermediate for compounds having retinoic acid-like activity ALLERGAN, INC. (US) 1991-10-01 — — US 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
US-5023341-A Acetylene thiochroman ALLERGAN, INC. (US) 1991-06-11 — — US disclosed
EP-0419132-A2 Process and intermediates for preparing compounds having a disubstituted acetylene moiety and retinoic acid-like biological 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
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