SCHEMBL9633267

SCHEMBL9633267

CC1(COc2ccc([N+](=O)[O-])cc2)CC(O)c2cc(O)c(C(C)(C)C)cc2O1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.48
NR1H4 Q96RI1 3/20 0.42
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MEN1 O00255 2/20 0.38
PKM P14618 1/20 0.36
MAPT P10636 5/20 0.35
POLB P06746 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KCNH2 Q12809 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
GALR3 O60755 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL9631291 0.82 ALDH1A1 (0.48) NR1H4KMT2ANPC1RAB9AMEN1
SCHEMBL9533164 0.81 TLR3 (0.48) TLR3KMT2ANPC1RAB9AMEN1
SCHEMBL9632256 0.81 TLR3 (0.46) TLR3NR1H4KMT2ANPC1RAB9A
SCHEMBL9531634 0.81 TLR3 (0.47) TLR3KMT2ANPC1RAB9AMEN1
SCHEMBL9630813 0.78 TLR3 (0.40) TLR3NR1H4KMT2ANPC1RAB9A
SCHEMBL8194915 0.76 KMT2A (0.39) NR1H4KMT2ANPC1RAB9AMEN1
SCHEMBL10636214 0.74 NR1H4 (0.41) NR1H4KMT2ANPC1RAB9AMEN1
SCHEMBL10638787 0.72 PPARG (0.45) KMT2AMEN1MAPTALDH1A1CYP1A2
SCHEMBL8193430 0.70 NR1H4 (0.38) NR1H4KMT2ANPC1RAB9AMEN1
SCHEMBL9531581 0.70 TLR3 (0.41) TLR3KMT2AMEN1PKMMAPT

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