SCHEMBL9630985

SCHEMBL9630985

CCCCCCCCC1(COc2ccc([N+](=O)[O-])cc2)CCc2c(C)c(O)c(C)c(C)c2O1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
PSEN1 P49768 6/20 0.41
PPARG P37231 1/20 0.38
CYP4F2 P78329 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MGLL Q99685 1/20 0.37
LMNA P02545 1/20 0.36
GSTP1 P09211 1/20 0.36
TTPA P49638 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
SCHEMBL10641737 0.89 MAPT (0.47) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL9631986 0.88 TTPA (0.46) MAPTMEN1KMT2APSEN1MGLL
SCHEMBL9632130 0.87 PSEN1 (0.44) MAPTMEN1KMT2ATDP1PSEN1
SCHEMBL10638977 0.84 MAPT (0.45) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL9632107 0.82 MAPT (0.60) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL9630933 0.79 MEN1 (0.47) MAPTMEN1KMT2ATDP1PSEN1
SCHEMBL9075115 0.78 MAPT (0.49) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL10636475 0.77 MEN1 (0.48) MAPTMEN1KMT2ATDP1PPARG
SCHEMBL10636293 0.76 TTPA (0.49) MAPTMEN1KMT2ATDP1PSEN1
SCHEMBL9631318 0.75 PSEN1 (0.46) MAPTMEN1KMT2ATDP1PSEN1

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