SCHEMBL9632161

SCHEMBL9632161

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

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TTPA P49638 2/20 0.39
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 6/20 0.36
POLB P06746 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAOB P27338 1/20 0.36
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
PKM P14618 1/20 0.34

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
SCHEMBL8177483 0.91 KMT2A (0.39) TTPAKMT2ANPC1RAB9AMEN1
SCHEMBL9632620 0.86 MEN1 (0.33) TTPAKMT2AMEN1ALDH1A1
SCHEMBL9631440 0.86 KMT2A (0.38) TTPAKMT2ANPC1RAB9AMEN1
SCHEMBL9630744 0.81 MEN1 (0.46) TTPAKMT2ANPC1RAB9AMEN1
SCHEMBL7536176 0.79 TTPA (0.51) TTPAKMT2AMEN1MAPT
SCHEMBL9630971 0.79 PPARG (0.31) KMT2AMEN1ALDH1A1
SCHEMBL7125937 0.78 MEN1 (0.36) TTPAKMT2AMEN1MAPTALDH1A1
SCHEMBL7123640 0.77 GAA (0.44) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL10636293 0.77 TTPA (0.49) TTPAKMT2AMEN1MAPTMAOB
SCHEMBL9531639 0.77 KMT2A (0.42) 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