SCHEMBL9631049

SCHEMBL9631049

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TTPA P49638 3/20 0.39
PKM P14618 2/20 0.37
KMT2A Q03164 4/20 0.36
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
MAOB P27338 1/20 0.35
TLR3 O15455 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.34
PDE4A P27815 1/20 0.34
PDE3A Q14432 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
SCHEMBL7536176 0.82 TTPA (0.51) TTPAKMT2AMAPTMEN1PDE4A
SCHEMBL9531581 0.81 TLR3 (0.41) PKMKMT2AMAPTPOLBMAOB
SCHEMBL8177483 0.80 KMT2A (0.39) TTPAPKMKMT2AMAPTPOLB
SCHEMBL10636395 0.80 CYP3A4 (0.49) KMT2AMAPTALDH1A1MEN1
SCHEMBL8172698 0.79 MEN1 (0.36) TTPAKMT2AMEN1PDE4APDE3A
SCHEMBL8490863 0.75 KMT2A (0.39) TTPAKMT2AMAPTPOLBMAOB
SCHEMBL10641788 0.75 MEN1 (0.53) TTPAKMT2AMAPTMEN1PDE4A
SCHEMBL9632161 0.75 TTPA (0.39) TTPAPKMKMT2AMAPTPOLB
SCHEMBL10636293 0.74 TTPA (0.49) TTPAKMT2AMAPTMAOBMEN1
SCHEMBL9531634 0.73 TLR3 (0.47) PKMKMT2AMAPTPOLBTLR3

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