SCHEMBL11221174

SCHEMBL11221174

CCCCCCCCCCCC(=O)OCCCP(=O)(O)O

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.67
LPAR3 Q9UBY5 4/20 0.57
LPAR2 Q9HBW0 2/20 0.57
DNM1 Q05193 1/20 0.56
PRSS1 P07477 1/20 0.53
PRSS2 P07478 1/20 0.53
PRSS3 P35030 1/20 0.53
P2RY10 O00398 4/20 0.52
GPR34 Q9UPC5 2/20 0.52
NAAA Q02083 1/20 0.52
PAM P19021 2/20 0.51
ENPP2 Q13822 2/20 0.51
LPAR6 P43657 1/20 0.51
LPAR1 Q92633 1/20 0.51
LPAR4 Q99677 1/20 0.51
LPAR5 Q9H1C0 1/20 0.51
TRPV1 Q8NER1 1/20 0.51

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
SCHEMBL22658027 0.95 DGKA (0.65) DGKALPAR3LPAR2DNM1PRSS1
SCHEMBL11318947 0.91 DGKA (0.69) DGKALPAR3LPAR2DNM1PAM
SCHEMBL11316013 0.91 DGKA (0.69) DGKALPAR3LPAR2DNM1PAM
SCHEMBL11329230 0.91 DGKA (0.69) DGKALPAR3LPAR2DNM1PAM
SCHEMBL11315998 0.91 DGKA (0.69) DGKALPAR3LPAR2DNM1PAM
SCHEMBL11318114 0.91 DGKA (0.69) DGKALPAR3LPAR2DNM1PAM
SCHEMBL28437253 0.89 DGKA (0.55) DGKALPAR3LPAR2DNM1PRSS1
SCHEMBL11318096 0.88 NAAA (0.58) DGKALPAR3LPAR2DNM1PRSS1
SCHEMBL9642883 0.88 NAAA (0.58) DGKALPAR3LPAR2DNM1PRSS1
SCHEMBL11331413 0.88 NAAA (0.58) DGKALPAR3LPAR2DNM1PRSS1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0012351-B1 PHOSPHONIC ACID ESTERS, THEIR PREPARATION, THEIR USE AS EMULSIFYING AND DISPERSING AGENTS, AND THEIR AQUEOUS COMPOSITIONS BAYER AG (DE) 1982-07-07 EP disclosed
US-4280960-A Phosphonic acid esters BAYER AKTIENGESELLSCHAFT (DE) 1981-07-28 US disclosed
EP-0012351-A1 Phosphonic acid esters, their preparation, their use as emulsifying and dispersing agents, and their aqueous compositions BAYER AG (DE) 1980-06-25 EP disclosed