SCHEMBL6236700

SCHEMBL6236700

CCCCCCCCCCCCCCOCC(O)C[N+](C)(C)CCOP(=O)(O)O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR5 Q9H1C0 1/20 0.68
LPAR3 Q9UBY5 5/20 0.55
LPAR1 Q92633 4/20 0.55
LPAR2 Q9HBW0 2/20 0.53
USP2 O75604 1/20 0.49
HTT P42858 1/20 0.48
PRKD3 O94806 2/20 0.47
PRKCG P05129 2/20 0.47
PRKCB P05771 2/20 0.47
PRKCA P17252 2/20 0.47
PRKCH P24723 2/20 0.47
PRKCI P41743 2/20 0.47
PRKCE Q02156 2/20 0.47
PRKCQ Q04759 2/20 0.47
PRKCZ Q05513 2/20 0.47
PRKCD Q05655 2/20 0.47
PRKD1 Q15139 2/20 0.47
AKT1 P31749 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL9837881 1.00 LPAR5 (0.68) LPAR5LPAR3LPAR1LPAR2USP2
SCHEMBL6234843 1.00 LPAR5 (0.68) LPAR5LPAR3LPAR1LPAR2USP2
SCHEMBL6235250 1.00 LPAR5 (0.68) LPAR5LPAR3LPAR1LPAR2USP2
SCHEMBL9837876 0.90 LPAR5 (0.57) LPAR5LPAR3LPAR1USP2HTT
SCHEMBL9837918 0.90 LPAR5 (0.57) LPAR5LPAR3LPAR1USP2HTT
SCHEMBL9837884 0.90 LPAR5 (0.57) LPAR5LPAR3LPAR1USP2HTT
SCHEMBL9837924 0.90 LPAR5 (0.57) LPAR5LPAR3LPAR1USP2HTT
SCHEMBL6235592 0.87 PSMD14 (0.59) LPAR5LPAR3LPAR1LPAR2PSMD14
SCHEMBL6243942 0.87 PSMD14 (0.59) LPAR5LPAR3LPAR1LPAR2PSMD14
SCHEMBL6237246 0.87 PSMD14 (0.59) LPAR5LPAR3LPAR1LPAR2PSMD14

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-0756633-B1 METHOD AND KITS FOR PROCESSING MYCOBACTERIA AND MYCOLIC ACID CONTAINING BACTERIA INTEGRATED RES TECHNOLOGY LLC (US) 2005-06-08 EP claimed