SCHEMBL8733917

SCHEMBL8733917

COc1cccc(CC(=O)O)c1OCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.53
PTGES O14684 1/20 0.52
ALOX5 P09917 1/20 0.52
PPARG P37231 1/20 0.52
ABCB1 P08183 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
HPGD P15428 1/20 0.51

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
SCHEMBL9076740 0.88 HPGD (0.53) SCN9AHPGD
SCHEMBL6035722 0.86 BCHE (0.63)
SCHEMBL8875136 0.81 PTGES (0.58) SCN9APTGESALOX5PPARG
SCHEMBL8875155 0.81 PTGES (0.58) SCN9APTGESALOX5PPARG
SCHEMBL8875142 0.81 PTGES (0.58) SCN9APTGESALOX5PPARG
SCHEMBL991380 0.81 KMT2A (0.54) HPGD
SCHEMBL29639215 0.81 KMT2A (0.54) HPGD
SCHEMBL9078345 0.81 CXCL8 (0.49) PTGESALOX5PPARG
SCHEMBL10191805 0.79 SMN1; SMN2 (0.61) ABCB1ABCG2
Hydrochloric Acid SCHEMBL2532791 0.79 KMT2A (0.55) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641766-B1 ALKOXYPHENYLALKYLAMINE DERIVATIVE TAISHO PHARMACEUTICAL CO LTD (JP) 1998-11-11 EP disclosed
US-5495046-A PSYCHOLOGICAL DISORDERS TAISHO PHARMACEUTICAL CO., LTD. (JP) 1996-02-27 US disclosed
EP-0641766-A1 ALKOXYPHENYLALKYLAMINE DERIVATIVE TAISHO PHARMACEUTICAL CO. LTD (JP) 1995-03-08 EP disclosed