SCHEMBL9632039

SCHEMBL9632039

COCOc1c(C)c(C)c2c(c1C)C(=O)CC(COc1ccc([N+](=O)[O-])cc1)(CC(C)C)O2

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 2/20 0.35
NQO1 P15559 1/20 0.33
MAOB P27338 1/20 0.32
GAA P10253 1/20 0.32
PRKCA P17252 1/20 0.31
RASGRP3 Q8IV61 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL9631440 0.87 KMT2A (0.38) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9632315 0.86 KMT2A (0.42) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9630744 0.76 MEN1 (0.46) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9630952 0.73 TTPA (0.41) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9531639 0.73 KMT2A (0.42) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL10639032 0.72 KMT2A (0.47) KMT2AMEN1MAPT
SCHEMBL9632161 0.72 TTPA (0.39) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL8177483 0.72 KMT2A (0.39) NPC1RAB9AKMT2AMEN1MAPT
SCHEMBL9632130 0.72 PSEN1 (0.44) KMT2AMEN1MAPT
SCHEMBL10642037 0.71 TTPA (0.47) KMT2AMEN1MAPTMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5104888-A Anticholesterol or antidiabetic agents SANKYO COMPANY, LIMITED (JP) 1992-04-14 US disclosed
EP-0207581-B1 THIAZOLIDINE DERIVATIVES, THEIR PREPARATION AND USE SANKYO COMPANY LIMITED (JP) 1990-09-12 EP disclosed
EP-0207581-A2 Thiazolidine derivatives, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-01-07 EP disclosed