SCHEMBL2672057

SCHEMBL2672057

CCCCCCCCCCCCCCOC[C@H](COC(C(O)CO)P(=O)(O)O)OCCCCCCCCCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 9/20 0.60
LPAR3 Q9UBY5 9/20 0.60
LPAR2 Q9HBW0 6/20 0.53
LPAR5 Q9H1C0 6/20 0.48
USP2 O75604 1/20 0.48
LPAR6 P43657 5/20 0.44
LPAR4 Q99677 5/20 0.44
TLR2 O60603 4/20 0.41
SPHK1 Q9NYA1 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL10562812 1.00 LPAR1 (0.60) LPAR1LPAR3LPAR2LPAR5USP2
SCHEMBL10566866 1.00 LPAR1 (0.60) LPAR1LPAR3LPAR2LPAR5USP2
SCHEMBL753952 0.99 LPAR1 (0.58) LPAR1LPAR3LPAR2LPAR5USP2
SCHEMBL3274160 0.93 LPAR1 (0.53) LPAR1LPAR3LPAR2LPAR5USP2
SCHEMBL667267 0.93 LPAR1 (0.53) LPAR1LPAR3LPAR2LPAR5USP2
SCHEMBL10563457 0.91 LPAR1 (0.53) LPAR1LPAR3LPAR2LPAR5USP2
Ammonia Solution, Strong SCHEMBL6373587 0.90 LPAR1 (0.60) LPAR1LPAR3LPAR2LPAR5USP2
SCHEMBL17291865 0.90 LPAR1 (0.47) LPAR1LPAR3LPAR2LPAR5USP2
SCHEMBL2538875 0.86 LPAR1 (0.48) LPAR1LPAR3LPAR2LPAR5USP2
SCHEMBL7820811 0.86 LPAR3 (0.46) LPAR1LPAR3LPAR2LPAR5USP2

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-8460709-B2 Pharmaceutical microparticles NOVARTIS AG (CH) 2013-06-11 US claimed
US-20120107408-A1 PHARMACEUTICAL MICROPARTICLES NOVARTIS AG (CH) 2012-05-03 US claimed