SCHEMBL4245704

SCHEMBL4245704

[CH2]COC(=O)NCCCCCCNC(=O)OC(C)[C](C)C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.40
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
ALOX15 P16050 1/20 0.37
TGM2 P21980 1/20 0.36

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
SCHEMBL14480342 0.81 ACHE (0.50) ACHEEPHX1KDM4EMAPK1HIF1A
SCHEMBL5077588 0.76 EPHX1 (0.66) ACHEEPHX1
SCHEMBL28422782 0.76 EPHX1 (0.66) ACHEEPHX1
SCHEMBL25272627 0.76 EPHX1 (0.66) ACHEEPHX1
SCHEMBL11780046 0.76 EPHX1 (0.66) ACHEEPHX1
SCHEMBL26353419 0.72 EPHX1 (0.42) ACHEEPHX1KDM4EMAPK1HIF1A
SCHEMBL1160484 0.72 ACHE (0.70) ACHEEPHX1ALOX15
SCHEMBL7360555 0.70 CYP2D6 (0.48) EPHX1KDM4E
SCHEMBL1416152 0.70 ACHE (0.50) ACHEEPHX1
SCHEMBL1415970 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009121337-A2 FORMULATION FOR THE GENERATIVE PRODUCTION OF BIOCOMPATIBLE, RADIATION-HARDENING MEDICAL PRODUCTS IN PARTICULAR MOULDED EARPIECES WITH REDUCED DISCOLOURING DREVE PRODIMED GMBH (DE) 2009-10-08 WO disclosed