SCHEMBL813053

SCHEMBL813053

COCCCCCC(=O)OCCCC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
DGKA P23743 1/20 0.50
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
DNM1 Q05193 1/20 0.42
NAAA Q02083 1/20 0.41
HTR2C P28335 1/20 0.41
PAOX Q6QHF9 1/20 0.41
PLA2G2A P14555 2/20 0.40
PAM P19021 2/20 0.38
EPHX2 P34913 1/20 0.36
P2RY10 O00398 1/20 0.36

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
SCHEMBL20100245 0.98 ALDH1A1 (0.48) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL799646 0.98 ALDH1A1 (0.53) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL17124349 0.98 ALDH1A1 (0.53) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL14803668 0.96 ALDH1A1 (0.52) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL17124347 0.96 ALDH1A1 (0.50) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL14296727 0.96 ALDH1A1 (0.50) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL14803736 0.94 ALDH1A1 (0.48) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL14296741 0.92 DGKA (0.48) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL12677631 0.89 DGKA (0.44) ALDH1A1DGKAPRSS1PRSS2PRSS3
SCHEMBL14016564 0.89 DGKA (0.59) ALDH1A1DGKAPRSS1PRSS2PRSS3

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-7897168-B2 Implantable medical devices having controlled release biodegradable polymer coatings ofof polylactone copolymers based on gamma-butyrolactone; drug delivery systems; controlling in situ drug release; adjustable physical properties; durability. elasticity; vascular stents; offset surgical side-effects MEDTRONIC VASCULAR, INC. (US) 2011-03-01 US disclosed