SCHEMBL9632014

SCHEMBL9632014

CC(=O)Oc1cc2c(cc1C(C)(C)C)OC(C)(COc1ccc([N+](=O)[O-])cc1)C=C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 2/20 0.45
TLR9 Q9NR96 1/20 0.41
TLR8 Q9NR97 1/20 0.41
NR1H4 Q96RI1 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
PTGS2 P35354 2/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
MAOB P27338 2/20 0.35
MEN1 O00255 2/20 0.35
GFER P55789 1/20 0.35
KCNH2 Q12809 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9631366 0.91 TLR3 (0.42) TLR3TLR9TLR8NR1H4LMNA
SCHEMBL9632320 0.79 TLR3 (0.41) TLR3TLR9TLR8NR1H4LMNA
SCHEMBL9533679 0.77 KCNH2 (0.39) TLR3LMNASMN1; SMN2MAPTKMT2A
SCHEMBL9632290 0.77 ALDH1A1 (0.44) NR1H4SMN1; SMN2MAPTKMT2AALDH1A1
SCHEMBL9531520 0.76 HIF1A (0.46) TLR3TLR9TLR8LMNASMN1; SMN2
SCHEMBL9630813 0.76 TLR3 (0.40) TLR3NR1H4SMN1; SMN2MAPTKMT2A
SCHEMBL9533583 0.74 TLR3 (0.43) TLR3TLR9TLR8LMNAMAPT
SCHEMBL10638767 0.73 MAPT (0.37) NR1H4MAPTKMT2AALDH1A1CYP1A2
SCHEMBL10374647 0.72 TLR3 (0.40) TLR3TLR9TLR8LMNASMN1; SMN2
SCHEMBL8490863 0.71 KMT2A (0.39) LMNASMN1; SMN2MAPTKMT2AALDH1A1

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