SCHEMBL9631366

SCHEMBL9631366

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 2/20 0.42
TLR9 Q9NR96 1/20 0.39
TLR8 Q9NR97 1/20 0.39
MAPT P10636 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.33
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
MAOB P27338 2/20 0.33
GFER P55789 1/20 0.33
TBXA2R P21731 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
BCL9 O00512 1/20 0.33
CTNNB1 P35222 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
SCHEMBL9632014 0.91 TLR3 (0.45) TLR3TLR9TLR8MAPTALDH1A1
SCHEMBL9632320 0.87 TLR3 (0.41) TLR3TLR9TLR8MAPTALDH1A1
SCHEMBL10374647 0.81 TLR3 (0.40) TLR3TLR9TLR8MAPTALDH1A1
SCHEMBL9632256 0.79 TLR3 (0.46) TLR3MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL9632121 0.78 ALDH1A1 (0.41) MAPTALDH1A1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL9533679 0.75 KCNH2 (0.39) TLR3MAPTALDH1A1LMNASMN1; SMN2
SCHEMBL9531520 0.74 HIF1A (0.46) TLR3TLR9TLR8MAPTALDH1A1
SCHEMBL9533583 0.71 TLR3 (0.43) TLR3TLR9TLR8MAPTALDH1A1
SCHEMBL9632290 0.69 ALDH1A1 (0.44) MAPTALDH1A1CYP1A2CYP3A4SMN1; SMN2
SCHEMBL8490863 0.68 KMT2A (0.39) MAPTALDH1A1LMNASMN1; SMN2KMT2A

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