SCHEMBL8153476

SCHEMBL8153476

CC(C)(C)c1cc2c(c(C(C)(C)C)c1)OCC/C2=C\C#N

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.34
PTGS1 P23219 2/20 0.34
PTGS2 P35354 2/20 0.34

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
SCHEMBL8153479 1.00 ALOX5 (0.34) ALOX5PTGS1PTGS2
SCHEMBL8155049 0.80 PTGS1 (0.38) ALOX5PTGS1PTGS2
SCHEMBL8155046 0.80 PTGS1 (0.38) ALOX5PTGS1PTGS2
SCHEMBL8146384 0.74 GABBR2 (0.38) ALOX5PTGS1PTGS2
SCHEMBL14452703 0.69 GABBR2 (0.37)
SCHEMBL12020341 0.65 GABBR2 (0.36) PTGS1PTGS2
SCHEMBL27744598 0.64 GABBR2 (0.40) PTGS1PTGS2
SCHEMBL14497176 0.63 GABBR2 (0.39) ALOX5PTGS1PTGS2
SCHEMBL21880335 0.63 PTGS1 (0.39) PTGS1PTGS2
SCHEMBL31028101 0.63 PIK3CA (0.38)

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6083977-A HAVING ACTIVITY FOR RETINOIC ACID RECEPTORS AND RETINOID X RECEPTORS LIGAND PHARMACEUTICALS INCORPORATED (US) 2000-07-04 US disclosed
EP-0800503-B1 NOVEL TRIENOIC RETINOID COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2000-05-10 EP disclosed
US-5721103-A SKIN DISORDERS; VISION DEFECTS LIGAND PHARMACEUTICALS INCORPORATED (US) 1998-02-24 US disclosed
EP-0800503-A1 NOVEL TRIENOIC RETINOID COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS, INC. (US) 1997-10-15 EP disclosed
WO-1996020913-A1 NOVEL TRIENOIC RETINOID COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INCORPORATED (US) 1996-07-11 WO disclosed