SCHEMBL14445604

SCHEMBL14445604

CCCCOP(=O)(OCCCC)C(CC(=O)O)P(=O)(OCCCC)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.47
LPAR3 Q9UBY5 4/20 0.41
LPAR1 Q92633 2/20 0.41
LPAR2 Q9HBW0 2/20 0.41
GAA P10253 1/20 0.41
GPR84 Q9NQS5 4/20 0.39
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MMP9 P14780 1/20 0.36
MMP8 P22894 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL3313487 0.80 POLB (0.43) CYP3A4GAATSHR
SCHEMBL8002512 0.78 GMNN (0.42) CYP3A4LPAR3LPAR1LPAR2GAA
SCHEMBL19595699 0.78 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2GAA
SCHEMBL7148541 0.76 LPAR3 (0.49) LPAR3LPAR1LPAR2GPR84MMP9
SCHEMBL7153050 0.76 LPAR3 (0.49) LPAR3LPAR1LPAR2GPR84MMP9
SCHEMBL7152612 0.76 LPAR3 (0.49) LPAR3LPAR1LPAR2GPR84MMP9
SCHEMBL11799423 0.74 CYP3A4 (0.47) CYP3A4LPAR3LPAR1LPAR2GAA
SCHEMBL4449162 0.74 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2GAA
SCHEMBL10831955 0.74 CYP3A4 (0.56) CYP3A4LPAR3LPAR1LPAR2GAA
SCHEMBL11688744 0.74 CYP3A4 (0.42) CYP3A4LPAR3LPAR1LPAR2GPR84

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-2007096703-A2 PHOSPHONATED RIFAMYCINS AND USES THEREOF FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-08-30 WO disclosed