SCHEMBL9631440

SCHEMBL9631440

CC(=O)Oc1c(C)c(C)c2c(c1C)C(=O)CC(COc1ccc([N+](=O)[O-])cc1)(CC(C)C)O2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 5/20 0.35
ALDH1A1 P00352 1/20 0.35
MAOB P27338 1/20 0.35
TTPA P49638 3/20 0.35
PDE4A P27815 1/20 0.34
PDE3A Q14432 1/20 0.34
POLB P06746 1/20 0.34
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
GAA P10253 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
SCHEMBL9630744 0.88 MEN1 (0.46) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL9632167 0.88 MEN1 (0.34) KMT2AMEN1PDE4APDE3A
SCHEMBL9632039 0.87 NPC1 (0.36) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL9632315 0.87 KMT2A (0.42) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL8177483 0.86 KMT2A (0.39) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL9632161 0.86 TTPA (0.39) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL10642037 0.84 TTPA (0.47) KMT2AMEN1MAPTMAOBTTPA
SCHEMBL9632313 0.81 MEN1 (0.30) KMT2AMEN1PDE4APDE3A
SCHEMBL10636293 0.76 TTPA (0.49) KMT2AMEN1MAPTMAOBTTPA
SCHEMBL9630952 0.76 TTPA (0.41) KMT2ANPC1RAB9AMEN1MAPT

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