SCHEMBL7396646

SCHEMBL7396646

C=CCc1c(C=O)cc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
CCNB2 O95067 2/20 0.43
CDK1 P06493 2/20 0.43
CDK4 P11802 2/20 0.43
CCNB1 P14635 2/20 0.43
CCND1 P24385 2/20 0.43
CCNB3 Q8WWL7 2/20 0.43
ERN1 O75460 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN1 P18031 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
PIN1 Q13526 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
SCHEMBL7392578 0.86 MAOA (0.50) MAOAMAOBCCNB2CDK1CDK4
SCHEMBL6709201 0.82 CCNB2 (0.52) MAOAMAOBCCNB2CDK1CDK4
SCHEMBL30428749 0.82 CCNB2 (0.52) MAOAMAOBCCNB2CDK1CDK4
SCHEMBL7395874 0.78 MAOB (0.50) MAOAMAOBCCNB2CDK1CDK4
SCHEMBL865350 0.76 MAOA (0.58) MAOAMAOBCCNB2CDK1CDK4
SCHEMBL3615463 0.76 MAOB (0.58) MAOAMAOBCCNB2CDK1CDK4
SCHEMBL23796751 0.75 MAOB (0.57) MAOAMAOBCCNB2CDK1CDK4
SCHEMBL6409166 0.75 BCHE (0.51) MAOAMAOBCCNB2CDK1CDK4
SCHEMBL6629023 0.75 BCHE (0.51) MAOAMAOBCCNB2CDK1CDK4
SCHEMBL28671704 0.74 MEN1 (0.48) MAOAMAOBCCNB2CDK1CDK4

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-5863947-A Phenylglycine derivatives useful for treating disorders of the central nervous system ELI LILLY AND COMPANY LIMITED (GB) 1999-01-26 US disclosed
EP-0807621-A1 Derivatives of phenylglycine and use thereof as pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1997-11-19 EP disclosed