SCHEMBL9632256

SCHEMBL9632256

CC(=O)Oc1cc2c(cc1C(C)(C)CC(C)(C)C)OC(C)(COc1ccc([N+](=O)[O-])cc1)CC2O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.46
MAPT P10636 6/20 0.36
ALDH1A1 P00352 4/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
POLB P06746 1/20 0.34
PKM P14618 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.32
CCR5 P51681 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
MAOB P27338 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL9632121 0.83 ALDH1A1 (0.41) MAPTALDH1A1CYP1A2CYP3A4POLB
SCHEMBL9630813 0.83 TLR3 (0.40) TLR3MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL9633267 0.81 TLR3 (0.48) TLR3MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL9631366 0.79 TLR3 (0.42) TLR3MAPTALDH1A1CYP1A2CYP3A4
SCHEMBL9533164 0.76 TLR3 (0.48) TLR3MAPTALDH1A1POLBPKM
SCHEMBL9531581 0.76 TLR3 (0.41) TLR3MAPTALDH1A1CYP3A4POLB
SCHEMBL9632290 0.74 ALDH1A1 (0.44) MAPTALDH1A1CYP1A2CYP3A4POLB
SCHEMBL9531634 0.74 TLR3 (0.47) TLR3MAPTALDH1A1POLBPKM
SCHEMBL9630958 0.72 KDM4E (0.37) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL9632014 0.70 TLR3 (0.45) TLR3MAPTALDH1A1CYP1A2CYP3A4

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