SCHEMBL9533164

SCHEMBL9533164

CC1(COc2ccc([N+](=O)[O-])cc2)CC(O)c2cc(F)ccc2O1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR3 O15455 1/20 0.48
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
MAPT P10636 5/20 0.39
POLB P06746 1/20 0.39
HSPB1 P04792 2/20 0.38
PKM P14618 1/20 0.38
ENPP2 Q13822 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GAA P10253 1/20 0.37
KCNE1 P15382 3/20 0.36
KCNQ1 P51787 3/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL9531634 0.85 TLR3 (0.47) TLR3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9633267 0.81 TLR3 (0.48) TLR3ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9530858 0.77 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTPOLBHSPB1
SCHEMBL9632256 0.76 TLR3 (0.46) TLR3ALDH1A1SMN1; SMN2HTTMAPT
SCHEMBL9531581 0.74 TLR3 (0.41) TLR3ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9631049 0.72 TTPA (0.39) TLR3ALDH1A1MAPTPOLBPKM
SCHEMBL8536557 0.70 TLR3 (0.49) TLR3ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL9531520 0.70 HIF1A (0.46) TLR3ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL6958558 0.69 TLR3 (0.44) TLR3ALDH1A1LMNAMAPTKMT2A
SCHEMBL3319434 0.69 KCNE1 (0.44) TLR3MEN1KMT2AKCNE1KCNQ1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0277836-B1 THIAZOLIDINONE DERIVATIVES, THEIR PREPARATION AND THEIR USE Sankyo Company Limited (JP) 1993-06-02 EP disclosed
EP-0251417-B1 4-(AROYLAMINO) PIPERIDINEBUTANAMIDE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1993-04-14 EP disclosed
US-4873255-A REDUCE BLOOD GLUCOSE AND BLOOD LIPID LEVELS SANKYO COMPANY LIMITED (JP) 1989-10-10 US disclosed
EP-0277836-A1 Thiazolidinone derivatives, their preparation and their use Sankyo Company Limited (JP) 1988-08-10 EP disclosed