SCHEMBL9631048

SCHEMBL9631048

CCOc1c(C)c(C)c2c(c1C)CCC(C)(COc1ccc([N+](=O)[O-])cc1)O2

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PTGS2 P35354 1/20 0.42
PPARG P37231 1/20 0.40
PSEN1 P49768 5/20 0.40
KCNH2 Q12809 3/20 0.39
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
HRH2 P25021 1/20 0.36
HRH1 P35367 1/20 0.36
TTPA P49638 1/20 0.36
MAOB P27338 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL10639032 0.90 KMT2A (0.47) MAPTKMT2AMEN1TDP1PPARG
SCHEMBL7536176 0.87 TTPA (0.51) MAPTKMT2AMEN1TDP1PPARG
SCHEMBL9632107 0.86 MAPT (0.60) MAPTKMT2AMEN1TDP1PTGS2
SCHEMBL9630761 0.85 TDP1 (0.48) MAPTKMT2AMEN1TDP1PPARG
SCHEMBL9075912 0.80 PSEN1 (0.40) MAPTKMT2AMEN1TDP1PSEN1
SCHEMBL9632312 0.78 MEN1 (0.49) MAPTKMT2AMEN1TDP1PPARG
SCHEMBL10639001 0.78 PSEN1 (0.40) MAPTKMT2AMEN1TDP1PPARG
SCHEMBL10641788 0.77 MEN1 (0.53) MAPTKMT2AMEN1PSEN1CRHBP
SCHEMBL10636293 0.77 TTPA (0.49) MAPTKMT2AMEN1TDP1PSEN1
SCHEMBL9631363 0.77 GABRA5 (0.38) MAPTKMT2AMEN1TDP1PSEN1

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