SCHEMBL2538875

SCHEMBL2538875

CCCCCOC[C@H](COC([C@@H](O)CO)P(=O)(O)O)OCCC(CC)OP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 9/20 0.48
LPAR3 Q9UBY5 9/20 0.48
LPAR5 Q9H1C0 6/20 0.41
LPAR2 Q9HBW0 6/20 0.40
SMPD1 P17405 3/20 0.37
USP2 O75604 1/20 0.37
PTPN1 P18031 1/20 0.37
PLA2G2C Q5R387 2/20 0.34
LPAR6 P43657 5/20 0.33
LPAR4 Q99677 5/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL753952 0.87 LPAR1 (0.58) LPAR1LPAR3LPAR5LPAR2USP2
SCHEMBL10562812 0.86 LPAR1 (0.60) LPAR1LPAR3LPAR5LPAR2USP2
SCHEMBL10566866 0.86 LPAR1 (0.60) LPAR1LPAR3LPAR5LPAR2USP2
SCHEMBL2672057 0.86 LPAR1 (0.60) LPAR1LPAR3LPAR5LPAR2USP2
SCHEMBL17291865 0.81 LPAR1 (0.47) LPAR1LPAR3LPAR5LPAR2USP2
SCHEMBL10563457 0.80 LPAR1 (0.53) LPAR1LPAR3LPAR5LPAR2USP2
SCHEMBL3274160 0.80 LPAR1 (0.53) LPAR1LPAR3LPAR5LPAR2USP2
SCHEMBL667267 0.80 LPAR1 (0.53) LPAR1LPAR3LPAR5LPAR2USP2
Ammonia Solution, Strong SCHEMBL6373587 0.77 LPAR1 (0.60) LPAR1LPAR3LPAR5LPAR2USP2
SCHEMBL1393763 0.76 MAPT (0.50) LPAR1LPAR3LPAR5LPAR2LPAR6

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
US-20140309186-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION 2014-10-16 US disclosed
US-20110246081-A1 Metabolomics-Based Identification of Disease-Causing Agents GEORGIA TECH RESEARCH CORPORATION (US) 2011-10-06 US disclosed