SCHEMBL6254380

SCHEMBL6254380

NC(=O)[C@H](Cc1ccccc1)NC(F)(F)P(=O)(O)O

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.56
PTPN2 P17706 3/20 0.48
PTPRA P18433 1/20 0.48
PTPN6 P29350 1/20 0.48
PTPN11 Q06124 1/20 0.48
HPGDS O60760 4/20 0.45
LAP3 P28838 3/20 0.45
ANPEP P15144 1/20 0.45
EPHX1 P07099 1/20 0.44
IL1RN P18510 1/20 0.43
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
ACE P12821 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 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
SCHEMBL73700 0.88 ACE (0.51) PTPN1ACE
SCHEMBL739018 0.88 ACE (0.51) PTPN1ACE
SCHEMBL21326284 0.84 EPHX1 (0.49) PTPN1HPGDSEPHX1ACECYP3A4
SCHEMBL21326281 0.84 EPHX1 (0.49) PTPN1HPGDSEPHX1ACECYP3A4
SCHEMBL6414895 0.83 EPHX1 (0.50) HPGDSEPHX1ACECYP3A4CYP2C19
SCHEMBL6414892 0.83 EPHX1 (0.50) HPGDSEPHX1ACECYP3A4CYP2C19
SCHEMBL18120816 0.83 EPHX1 (0.50) HPGDSEPHX1ACECYP3A4CYP2C19
SCHEMBL19719557 0.78 EPHX1 (0.45) HPGDSEPHX1ACECYP3A4CYP2C19
SCHEMBL19719555 0.78 EPHX1 (0.45) HPGDSEPHX1ACECYP3A4CYP2C19
SCHEMBL8703498 0.77 ACE (0.52) PTPN1ACE

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
WO-2005056582-A1 PTP1B PHOTOPROBES MERCK FROSST CANADA LTD. (CA) 2005-06-23 WO disclosed