SCHEMBL12643703

SCHEMBL12643703

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 9/20 0.60
▸ PPIB P23284 5/20 0.60
▸ PPIG Q13427 2/20 0.60
▸ PPIA P62937 1/20 0.60
▸ TNF P01375 2/20 0.35
▸ CYP4Z1 Q86W10 2/20 0.35
▸ CYP4F11 Q9HBI6 1/20 0.35
▸ CYP4F12 Q9HCS2 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL12643698 0.94 PPID (0.63) PPIDPPIBPPIGPPIA
SCHEMBL2042414 0.91 PPID (0.64) PPIDPPIBPPIGPPIATNF
SCHEMBL2039017 0.85 PPID (0.67) PPIDPPIBPPIGPPIA
SCHEMBL19882152 0.80 PPID (0.51) PPIDPPIBPPIGPPIAGAA
SCHEMBL2044119 0.77 PPID (1.00) PPIDPPIBPPIGPPIAALDH1A1
SCHEMBL12643704 0.77 PPID (0.64) PPIDPPIBPPIGPPIAGAA
SCHEMBL12643694 0.77 PPID (0.61) PPIDPPIBPPIGPPIAMAPK1
SCHEMBL12643701 0.74 PPID (0.60) PPIDPPIBPPIGPPIANPSR1
SCHEMBL12643831 0.70 PPIB (0.51) PPIDPPIBPPIGPPIAGAA
SCHEMBL12643824 0.70 PPID (1.00) PPIDPPIBPPIGPPIA

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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