SCHEMBL9631363

SCHEMBL9631363

COCOc1c(C)c(C)c2c(c1C)CCC(C)(COc1ccc([N+](=O)[O-])cn1)O2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PABPC1 P11940 1/20 0.36
PSEN1 P49768 5/20 0.35
TTPA P49638 3/20 0.33
PDE4A P27815 1/20 0.33
PDE3A Q14432 1/20 0.33
HSPB1 P04792 1/20 0.32

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 0.87 KMT2A (0.47) MEN1KMT2AMAPTTDP1PSEN1
SCHEMBL9630613 0.86 TTPA (0.48) GABRA5MEN1KMT2AMAPTTDP1
SCHEMBL9631272 0.86 MAPT (0.48) MEN1KMT2AMAPTTDP1TTPA
SCHEMBL9075912 0.79 PSEN1 (0.40) MEN1KMT2AMAPTTDP1PSEN1
SCHEMBL15854991 0.77 PSEN1 (0.43) MEN1KMT2AMAPTTDP1PSEN1
SCHEMBL9631048 0.77 MAPT (0.48) MEN1KMT2AMAPTTDP1PSEN1
SCHEMBL9221402 0.73 PSEN1 (0.37) MEN1KMT2AMAPTPSEN1TTPA
SCHEMBL7536176 0.72 TTPA (0.51) MEN1KMT2AMAPTTDP1PSEN1
SCHEMBL9633187 0.72 MEN1 (0.49) MEN1KMT2AMAPTTDP1PSEN1
SCHEMBL9632542 0.72 PSEN1 (0.45) MEN1KMT2AMAPTPSEN1TTPA

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