SCHEMBL9630171

SCHEMBL9630171

CC(=O)Cc1ccc(C2CC=CCN2Cc2ccccc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
S1PR5 Q9H228 1/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SIGMAR1 Q99720 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.35
GLA P06280 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL504801 0.73 MAPT (0.49) ALDH1A1SIGMAR1MAPT
Benzene SCHEMBL6698503 0.70 CES1 (0.64) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL1331954 0.70 CES1 (0.64) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL43943 0.70 CES1 (0.64) POLBALDH1A1LMNAMEN1KMT2A
SCHEMBL9688483 0.70 CES1 (0.64) POLBALDH1A1LMNAMEN1KMT2A
Benzene SCHEMBL11066939 0.70 CES1 (0.64) POLBALDH1A1LMNAMEN1KMT2A
Benzene SCHEMBL3421936 0.70 CES1 (0.64) POLBALDH1A1LMNAMEN1KMT2A
Benzene SCHEMBL2333780 0.70 CES1 (0.64) POLBALDH1A1LMNAMEN1KMT2A
Benzene SCHEMBL7058395 0.70 CES1 (0.64) POLBALDH1A1LMNAMEN1KMT2A
Benzene SCHEMBL10503945 0.70 CES1 (0.64) POLBALDH1A1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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