SCHEMBL8302088

SCHEMBL8302088

C[C@H](N)C(=O)NNC(=O)NCc1ccc(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 10/20 0.62
ERCC4 Q92889 10/20 0.62
LCK P06239 2/20 0.51
TRPV1 Q8NER1 2/20 0.46
ALPG P10696 1/20 0.45
CARM1 Q86X55 2/20 0.44
PRMT6 Q96LA8 2/20 0.44
ALPL P05186 1/20 0.44
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
EGFR P00533 1/20 0.43
FYN P06241 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ALOX15 P16050 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR2A P28223 1/20 0.43
PTGS2 P35354 1/20 0.43
RECQL P46063 1/20 0.43
SLC7A5 Q01650 1/20 0.43
HIF1A Q16665 1/20 0.43

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
SCHEMBL4677340 0.80 MEN1 (0.60) CARM1PRMT6
SCHEMBL4676331 0.80 MAPK1 (0.55) CARM1PRMT6
SCHEMBL4680706 0.80 MAPK1 (0.55) CARM1PRMT6
SCHEMBL4677304 0.80 MEN1 (0.60) CARM1PRMT6
SCHEMBL4676219 0.80 SMN1; SMN2 (0.53) KDM4E
SCHEMBL4676692 0.80 SMN1; SMN2 (0.53) KDM4E
SCHEMBL4676678 0.78 MASP2 (0.53) CARM1PRMT6
SCHEMBL4676327 0.78 ANPEP (0.58) CARM1PRMT6
SCHEMBL4679993 0.78 MASP2 (0.53) CARM1PRMT6
SCHEMBL4679395 0.78 ANPEP (0.58) CARM1PRMT6

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
WO-2004106289-A1 PROTEASE INHIBITORS PROZYMEX A/S (DK) 2004-12-09 WO disclosed