SCHEMBL2719418

SCHEMBL2719418

CCCC(C)(C)c1ccccc1OP(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
INPPL1 O15357 6/20 0.43
INPP5A Q14642 4/20 0.43
INPP5B P32019 2/20 0.43
SRC P12931 3/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
PDE3A Q14432 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AKT1 P31749 1/20 0.38
BLM P54132 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL1354465 0.90 CNR1 (0.41) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL18114067 0.88 INPPL1 (0.43) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL2719413 0.87 MEN1 (0.35) MEN1KMT2ANPSR1L3MBTL1
SCHEMBL27859933 0.87 INPPL1 (0.46) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL1354464 0.83 INPPL1 (0.44) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL2717054 0.81 MEN1 (0.43) SRCKDM4EALDH1A1MEN1KMT2A
SCHEMBL5007401 0.80 ALDH1A1 (0.49) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL18114040 0.80 SRC (0.49) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL284461 0.80 INPPL1 (0.52) INPPL1INPP5AINPP5BSRCKDM4E
SCHEMBL29885636 0.80 INPPL1 (0.52) INPPL1INPP5AINPP5BSRCKDM4E

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-2446005-A1 ANTI-WEAR AGENTS WITH A REDUCED NEUROTOXICITY Nyco SA (FR) 2012-05-02 EP disclosed
WO-2010149690-A1 ANTI-WEAR AGENTS WITH A REDUCED NEUROTOXICITY NYCO SA (FR) 2010-12-29 WO disclosed