SCHEMBL3469913

SCHEMBL3469913

O=C(OCC(I)C1CCCCC1)OCC(I)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.42
ALDH1A1 P00352 4/20 0.35
TP53 P04637 2/20 0.33
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
KDM4E B2RXH2 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL3469918 0.86 ALDH1A1 (0.38) EPHX1ALDH1A1TP53GAANPSR1
SCHEMBL14890929 0.68 ALDH1A1 (0.42) EPHX1ALDH1A1GAANPSR1KDM4E
SCHEMBL3935214 0.68 EPHX1 (0.44) EPHX1ALDH1A1NPSR1LMNA
SCHEMBL8038274 0.67 EPHX1 (0.39) EPHX1ALDH1A1TP53KDM4EGMNN
SCHEMBL1782429 0.67 RAB9A (0.41) EPHX1ALDH1A1NPSR1LMNAPMP22
SCHEMBL5197831 0.65 ALDH1A1 (0.37) EPHX1ALDH1A1TP53LMNASMN1; SMN2
SCHEMBL1785494 0.65 ALDH1A1 (0.54) EPHX1ALDH1A1NPSR1KDM4ETSHR
SCHEMBL6893065 0.65 EPHX1 (0.48) EPHX1ALDH1A1TP53NPSR1KDM4E
SCHEMBL660922 0.65 ALDH1A1 (0.54) EPHX1ALDH1A1NPSR1KDM4ETSHR
SCHEMBL4200004 0.64 LMNA (0.46) LMNAPMP22TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139866-A2 CRYSTALLINE 1-(CYCLOHEXYLOXYCARBONYLOXY) ETHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE AND A PROCESS FOR ITS PREPARATION KRKA, D.D., Novo Mesto (SI) 2010-01-06 EP disclosed
WO-2008129077-A2 CRYSTALLINE 1-(CYCLOHEXYLOXYCARBONYLOXY) ETHYL 1-((2'-CYANOBIPHENYL-4-YL)METHYL)-2-ETHOXY-1H-BENZO[D]IMIDAZOLE-7-CARBOXYLATE AND A PROCESS FOR ITS PREPARATION KRKA, D.D. NOVO MESTO (SI) 2008-10-30 WO disclosed