SCHEMBL13636101

SCHEMBL13636101

COC[C@H](C)OP(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 3/20 0.36
PIK3CD O00329 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LPAR3 Q9UBY5 4/20 0.31
LPAR1 Q92633 3/20 0.31
LPAR2 Q9HBW0 3/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
ENPP2 Q13822 4/20 0.31
LPAR5 Q9H1C0 2/20 0.31
LPAR6 P43657 1/20 0.30
LPAR4 Q99677 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
SCHEMBL8407485 1.00 SMPD1 (0.36) SMPD1PIK3CDALDH1A1LPAR3LPAR1
SCHEMBL18372917 0.87 LPAR5 (0.34) SMPD1LPAR3LPAR1LPAR5
SCHEMBL21291928 0.86 PIK3CD (0.32) PIK3CD
SCHEMBL1574058 0.81 PGK1 (0.45) LPAR3LPAR1LPAR2PGK1PGK2
SCHEMBL5432672 0.81 SMPD1 (0.36) SMPD1PGK1PGK2
SCHEMBL26188134 0.79 TSHR (0.35) SMPD1ALDH1A1LPAR3LPAR1LPAR5
SCHEMBL38660044 0.79 MMP1 (0.34) SMPD1LPAR3LPAR1LPAR2PGK1
SCHEMBL29143313 0.79 TDP1 (0.50) SMPD1LPAR3LPAR1LPAR2LPAR5
SCHEMBL38660842 0.79 MMP1 (0.34) SMPD1LPAR3LPAR1LPAR2PGK1
Phosphoric Acid SCHEMBL11590026 0.78 MMP1 (0.31)

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-1314033-B1 IMMOBILISED PHOSPHATIDIC ACID PROBE HOLMES ANDREW BRUCE (GB) 2009-11-18 EP disclosed