SCHEMBL8895425

SCHEMBL8895425

[CH2]CCCC(=O)OCCCCCCCCCCCCCC

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.68
NAAA Q02083 1/20 0.62
PRSS1 P07477 1/20 0.61
PRSS2 P07478 1/20 0.61
PRSS3 P35030 1/20 0.61
HTR2C P28335 1/20 0.59
DNM1 Q05193 1/20 0.56
TSHR P16473 3/20 0.53
RAD52 P43351 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PAM P19021 2/20 0.52
FAAH O00519 1/20 0.51
MAPT P10636 1/20 0.49
EPHX1 P07099 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 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
SCHEMBL6882257 1.00 DGKA (0.68) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL8896667 1.00 DGKA (0.68) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL1889622 1.00 DGKA (0.68) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL8896941 1.00 DGKA (0.68) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL11249237 1.00 DGKA (0.68) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL7828971 1.00 DGKA (0.68) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL7841880 1.00 DGKA (0.68) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL616258 0.98 DGKA (0.64) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL7840375 0.94 DGKA (0.71) DGKANAAAPRSS1PRSS2PRSS3
SCHEMBL1888899 0.94 DGKA (0.71) DGKANAAAPRSS1PRSS2PRSS3

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-5670563-A ORGANOTIN COMPOUND, PHOSPHORUS COMPOUND CIBA-SPECIALTY CHEMICALS CORPORATION (US) 1997-09-23 US disclosed