SCHEMBL8734299

SCHEMBL8734299

Cc1cc(COc2cc[c]cc2)cc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.38
APP P05067 3/20 0.38
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
PTPRC P08575 1/20 0.35
PTPRF P10586 1/20 0.35
PTPN1 P18031 1/20 0.35
NPC1 O15118 2/20 0.35
AR P10275 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 1/20 0.35
MAOB P27338 4/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL6543588 0.86 PARP10 (0.40) PARP10APPPRSS1PRSS2PRSS3
SCHEMBL5540184 0.84 APP (0.41) APPNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL6741410 0.83 PARP10 (0.54) PARP10PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL7253353 0.80 MEN1 (0.39) PARP10PRSS1PRSS2PRSS3RAB9A
SCHEMBL542723 0.78 MAOB (0.47) APPMAOB
SCHEMBL543113 0.77 MAOB (0.54) PARP10APPNPC1RAB9ASMN1; SMN2
SCHEMBL7249694 0.76 PARP10 (0.51) PARP10APPPRSS1PRSS2PRSS3
SCHEMBL7253638 0.76 IDO1 (0.45) APPMAOB
SCHEMBL863820 0.76 GSK3B (0.49) APPMAOB
SCHEMBL7246097 0.76 MAOB (0.46) PARP10APPMAOB

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-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed