SCHEMBL9450849

SCHEMBL9450849

COP(=O)(OC)C(c1cc(C)c(C)cc1C(P(=O)(O)O)P(=O)(O)O)P(=O)(OC)OC

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.33
PGK2 P07205 2/20 0.33
ACP3 P15309 1/20 0.32
SRC P12931 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30

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
SCHEMBL9450751 0.79 SRC (0.45) ACP3SRCLMNA
SCHEMBL9169524 0.74 ACP3 (0.33) ACP3
SCHEMBL9170260 0.73 SRC (0.35) PGK1PGK2ACP3SRC
SCHEMBL9316994 0.71 SRC (0.54) PGK1PGK2ACP3SRCCYP2C19
SCHEMBL9171680 0.69 SRC (0.52) PGK1PGK2ACP3SRC
SCHEMBL3045986 0.68 MGAM (0.41) ACP3SRCCYP2C19
SCHEMBL9163792 0.62 SRC (0.39) ACP3SRC
Phosphoric Acid SCHEMBL30899676 0.62 PGK1 (0.52) PGK1PGK2SRCLMNA
SCHEMBL9450742 0.59 SRC (0.61) PGK1PGK2ACP3SRC
SCHEMBL5491706 0.59 ALDH1A1 (0.42) LMNATAS1R3TAS1R1

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