SCHEMBL8812977

SCHEMBL8812977

CCC(C)OP(=O)(O)C(F)(F)c1ccc(C=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 6/20 0.38
PGK1 P00558 2/20 0.38
PGK2 P07205 2/20 0.38
PTPN1 P18031 5/20 0.37
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
ALDH1A3 P47895 1/20 0.34
PTPN2 P17706 4/20 0.34
PTPN6 P29350 4/20 0.34
PTPN11 Q06124 3/20 0.34
PTPRC P08575 2/20 0.34
PTPRB P23467 2/20 0.34
CDC25A P30304 1/20 0.34
EPHX2 P34913 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
TYR P14679 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL8812398 0.83 PTPN5 (0.40) PTPN5PGK1PGK2PTPN1PTPN2
SCHEMBL5162415 0.81 PTPN1 (0.42) PTPN5PGK1PGK2PTPN1PTPN2
SCHEMBL642521 0.79 ALDH1A1 (0.42) PTPN5PGK1PGK2KDM4EALDH1A1
SCHEMBL7598727 0.74 PTPN1 (0.37) PTPN5PGK1PGK2PTPN1PTPN2
SCHEMBL642868 0.74 PGK1 (0.42) PTPN5PGK1PGK2PTPN1
SCHEMBL5166721 0.73 PTPN1 (0.36) PTPN5PGK1PGK2PTPN1PTPN2
SCHEMBL20190977 0.72 PGK1 (0.72) PTPN5PGK1PGK2PTPN1PTPN2
SCHEMBL643903 0.71 FDPS (0.34) PTPN5PTPN1NOS3NOS1NOS2
SCHEMBL3187016 0.71 ALDH1A1 (0.43) PTPN1ALDH1A3TYRKDM4EALDH1A1
SCHEMBL642081 0.71 CA12 (0.40) PTPN5PGK1PGK2ALDH1A1

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-1997012903-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING THE BINDING OF PROTEINS CONTAINING AN SH2 DOMAIN TO COGNATE PHOSPHORYLATED PROTEINS WARNER-LAMBERT COMPANY (US) 1997-04-10 WO disclosed