SCHEMBL12643698

SCHEMBL12643698

C=C(CNC(=O)NCc1ccc(N)cc1)N(CC)OCCC(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 11/20 0.63
▸ PPIB P23284 6/20 0.63
▸ PPIG Q13427 3/20 0.63
▸ PPIA P62937 1/20 0.63
▸ EPHX1 P07099 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PRSS1 P07477 1/20 0.33
▸ TPSAB1 Q15661 1/20 0.33

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
SCHEMBL12643703 0.94 PPID (0.60) PPIDPPIBPPIGPPIA
SCHEMBL2039017 0.91 PPID (0.67) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL2042414 0.84 PPID (0.64) PPIDPPIBPPIGPPIA
SCHEMBL2044119 0.78 PPID (1.00) PPIDPPIBPPIGPPIAEPHX1
SCHEMBL12643704 0.78 PPID (0.64) PPIDPPIBPPIGPPIA
SCHEMBL12643694 0.78 PPID (0.61) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL12643701 0.75 PPID (0.60) PPIDPPIBPPIGPPIASMN1; SMN2
SCHEMBL19882152 0.73 PPID (0.51) PPIDPPIBPPIGPPIA
SCHEMBL12643831 0.72 PPIB (0.51) PPIDPPIBPPIGPPIAPOLB
SCHEMBL12643824 0.71 PPID (1.00) PPIDPPIBPPIGPPIAEPHX1

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-2011076784-A2 NEW INHIBITORS OF CYCLOPHILINS AND USES THEREOF INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2011-06-30 — — WO disclosed
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