SCHEMBL4538116

SCHEMBL4538116

CC(C)(CO)NC(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)c4ccccc4)CC2)O3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C19 P33261 1/20 0.38
MGLL Q99685 1/20 0.38
POLB P06746 2/20 0.37
CCNC P24863 1/20 0.37
CDK8 P49336 1/20 0.37
PIK3CA P42336 1/20 0.37
HTR2B P41595 2/20 0.36
HTR1A P08908 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
FASN P49327 1/20 0.36

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
SCHEMBL4531783 0.92 ABL1 (0.34) LMNAKMT2AGPR119
SCHEMBL13586060 0.87 SMN1; SMN2 (0.47) LMNAMEN1KMT2APTPN2PTPN1
SCHEMBL13586062 0.87 PTPN2 (0.44) KMT2APTPN2PTPN1GPR119
SCHEMBL13586044 0.87 ALDH1A1 (0.37) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13586043 0.86 NPY2R (0.43) LMNAMEN1KMT2APTPN2PTPN1
SCHEMBL4530802 0.86 LMNA (0.51) LMNAMEN1KMT2APTPN2PTPN1
SCHEMBL13586061 0.85 MEN1 (0.49) LMNAMEN1KMT2APTPN2PTPN1
SCHEMBL4541177 0.84 LMNA (0.45) LMNAMEN1KMT2APTPN2PTPN1
SCHEMBL4355595 0.84 POLB (0.54) LMNAPTPN2PTPN1ALDH1A1SMN1; SMN2
SCHEMBL4520212 0.84 PTPN2 (0.47) LMNAMEN1KMT2APTPN2PTPN1

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
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO claimed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed