SCHEMBL9450751

SCHEMBL9450751

COP(=O)(OC)C(c1ccccc1C(P(=O)(O)O)P(=O)(O)O)P(=O)(OC)OC

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.45
ACP3 P15309 4/20 0.40
LAP3 P28838 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 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
SCHEMBL9170260 0.84 SRC (0.35) SRCACP3CA12
SCHEMBL9450742 0.83 SRC (0.61) SRCACP3LAP3CA12CA9
SCHEMBL9450849 0.79 PGK1 (0.33) SRCACP3LMNA
SCHEMBL9316994 0.76 SRC (0.54) SRCACP3TDP1
SCHEMBL9171680 0.74 SRC (0.52) SRCACP3TDP1KMT2APOLB
SCHEMBL9163792 0.74 SRC (0.39) SRCACP3LAP3KDM4EGAA
SCHEMBL9169524 0.72 ACP3 (0.33) ACP3TDP1CA12CA9
SCHEMBL5666435 0.71 SRC (0.52) SRCACP3LAP3TDP1KDM4E
SCHEMBL8905874 0.69 SRC (0.50) SRCACP3LAP3CYP3A4SMN1; SMN2
SCHEMBL9172268 0.67 POLB (0.42) ACP3KDM4EGAAALDH1A1SMN1; SMN2

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-0561948-A1 PHOSPHONIC ACID DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS. UPJOHN CO (US) 1993-09-29 EP claimed