SCHEMBL9006930

SCHEMBL9006930

CC(C)(O)CC(C)(C)c1ccc(Br)cc1S

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 0.86 PTGDR2 (0.36) PTGDR2
SCHEMBL9336957 0.81 MEN1 (0.38) PTGDR2
SCHEMBL5736125 0.77 ALOX15 (0.41) PTGDR2
SCHEMBL8563905 0.72 PTGDR2 (0.33) PTGDR2
SCHEMBL21760563 0.69 KDM1A (0.43) —
SCHEMBL9189624 0.66 — —
SCHEMBL7847441 0.65 PTGDR2 (0.40) PTGDR2
SCHEMBL13674378 0.65 — —
SCHEMBL23585405 0.64 KDM1A (0.36) —
SCHEMBL1474119 0.64 PRKAB2 (0.39) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0571546-B1 CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN INC (US) 1996-10-16 — — EP disclosed
US-5346915-A Chromans and thiochromans with phenylethynyl substituents at the 7-position having retinold-like biological activity ALLERGAN, INC. (US) 1994-09-13 — — US disclosed
US-5346895-A Treating dermatoses, immunological disorders, wound healing ALLERGAN, INC. (US) 1994-09-13 — — US disclosed
EP-0577737-A1 CHROMANS AND THIOCHROMANS WITH HETEROARYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 1994-01-12 — — EP disclosed
EP-0571546-A1 CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY. ALLERGAN INC (US) 1993-12-01 — — EP disclosed
WO-1992017471-A1 CHROMANS AND THIOCHROMANS WITH HETEROARYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 1992-10-15 — — WO disclosed
WO-1992014725-A1 CHROMAN AND THIOCHROMANS WITH PHENYLETHYNYL SUBSTITUENTS AT THE 7-POSITION HAVING RETINOID-LIKE BIOLOGICAL ACTIVITY ALLERGAN, INC. (US) 1992-09-03 — — WO disclosed
Send feedback