SCHEMBL9515149

SCHEMBL9515149

CC(=O)Cc1ccc(OCC#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.53
▸ FFAR1 O14842 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ PDE4A P27815 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ SLC2A1 P11166 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ PPARA Q07869 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL7400264 0.84 FFAR1 (0.50) POLBFFAR1KDM4EHTT
SCHEMBL7399916 0.83 ALDH1A1 (0.52) FFAR1ALDH1A1KDM4ECYP1A2CYP2D6
SCHEMBL4984973 0.83 CA2 (0.48) FFAR1KDM4ECYP1A2
SCHEMBL8421926 0.79 MAPT (0.65) POLBALDH1A1MAPTSMN1; SMN2RAB9A
SCHEMBL28538303 0.79 POLB (0.61) POLBALDH1A1MAPTKDM4ECYP1A2
SCHEMBL2628188 0.78 POLB (0.59) POLBALDH1A1MAPTKDM4ECYP1A2
SCHEMBL634910 0.76 LTA4H (0.45) FFAR1ALDH1A1KDM4ESMN1; SMN2SLC2A1
SCHEMBL4476065 0.76 CYP2A6 (0.54) FFAR1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL2649430 0.76 CTBP2 (0.56) POLBALDH1A1MAPTCYP1A2CYP2D6
SCHEMBL11011416 0.76 POLB (0.47) POLBFFAR1ALDH1A1MAPTSMN1; SMN2

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
EP-0236624-B1 SUBSTITUTED PHENYL ETHANOL AMINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BEECHAM GROUP PLC (GB) 1993-08-11 — — EP disclosed
US-5153210-A Hypoglycemic agent, animal growth regulator; veterinary medicine BEECHAM GROUP P.L.C. (GB) 1992-10-06 — — US disclosed
EP-0236624-A2 Substituted phenyl ethanol amines, processes for their preparation and pharmaceutical compositions containing them BEECHAM GROUP PLC (GB) 1987-09-16 — — EP disclosed
EP-0070133-B1 SECONDARY PHENYLETHANOL AMINES, PROCESSES FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL APPLICATION BEECHAM GROUP PLC (GB) 1986-05-14 — — EP disclosed
EP-0070133-A2 Secondary phenylethanol amines, processes for their preparation and their pharmaceutical application BEECHAM GROUP PLC (GB) 1983-01-19 — — EP disclosed
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