SCHEMBL20459307

SCHEMBL20459307

C=C/C(=C\C)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
RECQL P46063 1/20 0.54
PTPN2 P17706 1/20 0.49
PTPN1 P18031 1/20 0.49
PTPN6 P29350 1/20 0.49
KMT2A Q03164 1/20 0.48
EPHX1 P07099 1/20 0.47
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR119 Q8TDV5 3/20 0.44
STS P08842 5/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL15561286 0.84 HPGD (0.59) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL19626321 0.80 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL13599001 0.80 HPGD (0.60) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL4251454 0.79 HPGD (0.50) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL4251450 0.79 HPGD (0.50) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL28195249 0.79 HPGD (0.68) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL15918632 0.78 HPGD (0.59) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL2771306 0.78 HPGD (0.51) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL26619792 0.78 HPGD (0.55) HPGDRECQLPTPN2PTPN1PTPN6
SCHEMBL22719731 0.78 HPGD (0.62) HPGDRECQLPTPN2PTPN1PTPN6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675793-B1 FAK INHIBITORS CANCER THERAPEUTICS CRC PTY LTD (AU) 2018-08-08 EP disclosed