SCHEMBL16301235

SCHEMBL16301235

COCCCNc1cc(C(=O)OC)ccc1N

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 4/20 0.65
ALDH1A1 P00352 5/20 0.56
MAPT P10636 5/20 0.56
KDM4E B2RXH2 4/20 0.56
GAA P10253 3/20 0.56
HSD17B10 Q99714 3/20 0.56
HDAC1 Q13547 1/20 0.52
LNPEP Q9UIQ6 6/20 0.51
ERAP2 Q6P179 3/20 0.51
HPGD P15428 2/20 0.48
GLA P06280 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
ATM Q13315 1/20 0.48
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
RAB9A P51151 1/20 0.42
USP2 O75604 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
SCHEMBL20266373 0.92 PTGER4 (0.64) PTGER4ALDH1A1MAPTKDM4EGAA
SCHEMBL763198 0.87 LNPEP (0.62) PTGER4ALDH1A1MAPTKDM4EGAA
SCHEMBL1205232 0.84 LNPEP (0.57) PTGER4ALDH1A1MAPTKDM4EGAA
SCHEMBL2931229 0.83 PTGER4 (0.55) PTGER4ALDH1A1MAPTKDM4EGAA
SCHEMBL23286966 0.82 MAPT (0.58) PTGER4ALDH1A1MAPTKDM4EGAA
SCHEMBL24900104 0.82 LNPEP (0.56) PTGER4ALDH1A1MAPTKDM4EGAA
SCHEMBL26971242 0.81 LNPEP (0.49) PTGER4ALDH1A1MAPTKDM4EGAA
SCHEMBL23273578 0.81 PTGER4 (0.49) PTGER4ALDH1A1MAPTKDM4EGAA
SCHEMBL2014323 0.81 LNPEP (0.56) PTGER4ALDH1A1MAPTKDM4EGAA
SCHEMBL23703820 0.81 KDM4E (0.52) PTGER4ALDH1A1MAPTKDM4EGAA

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-8138168-B1 Renin inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-20 US disclosed