SCHEMBL9253828

SCHEMBL9253828

CCCCc1nc(O)c(CC(=O)OCC)c(O)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
KDM4E B2RXH2 3/20 0.43
HSD17B10 Q99714 4/20 0.40
PKM P14618 1/20 0.40
ATM Q13315 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 3/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NR4A1 P22736 1/20 0.36
MAPT P10636 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
SCHEMBL4686439 0.93 MAPK1 (0.48) MAPK1KDM4EHSD17B10PKMATM
SCHEMBL9257344 0.83 KDM4E (0.42) MAPK1KDM4EHSD17B10PKMATM
SCHEMBL28628793 0.81 TSHR (0.53) KDM4ETSHRLMNA
SCHEMBL29703417 0.81 TSHR (0.53) KDM4ETSHRLMNA
SCHEMBL8805901 0.80 ALDH1A1 (0.44) HSD17B10ATMLMNAALDH1A1HPGD
SCHEMBL12480437 0.80 MAPK1 (0.51) MAPK1KDM4EHSD17B10PKMATM
SCHEMBL21996618 0.78 MAPK1 (0.50) MAPK1KDM4EHSD17B10PKMATM
SCHEMBL1060382 0.77 MAPK1 (0.56) MAPK1KDM4EHSD17B10CA12CA1
SCHEMBL2229077 0.76 LMNA (0.45) HSD17B10ATMTSHRLMNAALDH1A1
SCHEMBL7819539 0.76 MAPK1 (0.52) MAPK1KDM4EHSD17B10PKMATM

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-5474996-A Angiotension II inhibitors ROUSSEL UCLAF (FR) 1995-12-12 US disclosed