SCHEMBL8844601

SCHEMBL8844601

CCCCCCCCP(=O)(CCC(=O)OCCCC)CCC(=O)OCCCC

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.56
NAAA Q02083 1/20 0.52
HTR2C P28335 1/20 0.50
DNM1 Q05193 1/20 0.47
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
RAD52 P43351 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ATM Q13315 1/20 0.44
FAAH O00519 1/20 0.44
PAM P19021 2/20 0.43
P2RY10 O00398 4/20 0.43
GPR34 Q9UPC5 2/20 0.43
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL8844811 1.00 DGKA (0.56) DGKANAAAHTR2CDNM1PRSS1
SCHEMBL8845277 0.93 DGKA (0.50) DGKANAAAHTR2CDNM1PRSS1
SCHEMBL8845338 0.89 DGKA (0.50) DGKANAAAHTR2CDNM1PRSS1
SCHEMBL27972013 0.89 DGKA (0.50) DGKANAAAHTR2CDNM1PRSS1
SCHEMBL28224918 0.86 DGKA (0.50) DGKANAAAHTR2CDNM1PRSS1
SCHEMBL27972196 0.86 DGKA (0.50) DGKANAAAHTR2CDNM1PRSS1
SCHEMBL8845318 0.86 DGKA (0.50) DGKANAAAHTR2CDNM1PRSS1
SCHEMBL27901260 0.84 DGKA (0.53) DGKANAAAHTR2CDNM1PRSS1
SCHEMBL8844691 0.82 CA12 (0.47) DGKAFAAH
SCHEMBL8844678 0.82 CA12 (0.47) DGKAFAAH

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
US-5679849-A Method of producing a bis(2-carboxyethyl)alkyl phosphine oxide and a derivative thereof NIPPON CHEMICAL INDUSTRIAL CO., LTD. (JP) 1997-10-21 US disclosed