SCHEMBL8350827

SCHEMBL8350827

CNCCCCCS(=O)(=O)CNC

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.42
CA2 P00918 1/20 0.39
SIGMAR1 Q99720 2/20 0.32
GRIA1 P42261 3/20 0.32
KDM4A O75164 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
PPARA Q07869 2/20 0.30

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
SCHEMBL21670894 0.79 CA2 (0.50) EPHX1CA2PPARA
SCHEMBL4939678 0.78 EPHX1 (0.39) EPHX1CA2
SCHEMBL13745982 0.76 EPHX1 (0.46) EPHX1CA2SIGMAR1GRIA1KDM4A
SCHEMBL9995692 0.74 EPHX1 (0.35) EPHX1CA2SIGMAR1
SCHEMBL3422893 0.73 EPHX1 (0.42) EPHX1SIGMAR1GRIA1
SCHEMBL6115755 0.73 APP (0.46) EPHX1CA2SIGMAR1KDM4AKDM4C
SCHEMBL7050710 0.73 EPHX1 (0.42) EPHX1CA2
SCHEMBL27995785 0.71 APP (0.44) EPHX1CA2SIGMAR1KDM4AKDM4C
Ammonia Solution, Strong SCHEMBL17272102 0.71 APP (0.44) EPHX1CA2SIGMAR1KDM4AKDM4C
SCHEMBL27995601 0.71 APP (0.44) EPHX1KDM4AKDM4C

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-2003053349-A2 INHIBITORS OF HEPATITIS C VIRUS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed