SCHEMBL9630982

SCHEMBL9630982

Cc1c(C)c2c(c(C)c1OCC(=O)OC(C)(C)C)C(=O)CC(C)(COc1ccc([N+](=O)[O-])cc1)O2

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PTPN7 P35236 1/20 0.35
PTPN12 Q05209 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
PKM P14618 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
LMNA P02545 1/20 0.33
LDHA P00338 1/20 0.33
NR1D1 P20393 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
SCHEMBL9632908 0.89 DDB1 (0.34) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL8177483 0.84 KMT2A (0.39) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL9531639 0.82 KMT2A (0.42) KMT2ANPC1RAB9AMEN1PTGS2
SCHEMBL9632055 0.82 KDM4E (0.33) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL8980424 0.81 KMT2A (0.44) KMT2ANPC1RAB9AMEN1PTGS2
SCHEMBL9631020 0.78 PPARG (0.43) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL9631939 0.77 MEN1 (0.32) KMT2AMEN1MAPT
SCHEMBL9632161 0.75 TTPA (0.39) KMT2ANPC1RAB9AMEN1MAPT
SCHEMBL655716 0.72 PTGS2 (0.60) KMT2AMEN1PTGS2MAPTALDH1A1
SCHEMBL7125937 0.72 MEN1 (0.36) KMT2AMEN1MAPTALDH1A1KDM4E

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