SCHEMBL12643632

SCHEMBL12643632

CCOC(=O)C(CCCCNC(C)=O)NC(=O)NCc1ccc(N)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 6/20 0.68
▸ PPIB P23284 3/20 0.51
▸ PPIG Q13427 2/20 0.51
▸ PPIA P62937 1/20 0.51
▸ HTT P42858 1/20 0.43
▸ CASP1 P29466 1/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ ATM Q13315 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ FOLH1 Q04609 1/20 0.41
▸ KLKB1 P03952 1/20 0.39
▸ ANPEP P15144 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGAV P06756 1/20 0.39
▸ EPHX2 P34913 1/20 0.39

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
SCHEMBL12643966 1.00 PPID (0.68) PPIDPPIBPPIGPPIAHTT
SCHEMBL16270312 0.97 PPID (0.69) PPIDPPIBPPIGPPIAHTT
SCHEMBL12643652 0.97 PPID (0.69) PPIDPPIBPPIGPPIAHTT
SCHEMBL19882161 0.88 PPID (0.53) PPIDHTTCASP1CA1CA2
SCHEMBL12643638 0.87 PPID (0.57) PPIDPPIBPPIGPPIAHTT
SCHEMBL2039557 0.86 FOLH1 (0.56) PPIDFOLH1ITGB3ITGAV
SCHEMBL2034565 0.83 FOLH1 (0.51) PPIDFOLH1ITGB3ITGAV
SCHEMBL2039871 0.81 PPID (1.00) PPIDPPIBPPIGPPIAHTT
SCHEMBL2040765 0.79 PPID (1.00) PPIDPPIBPPIGPPIAATM
SCHEMBL12643650 0.79 MAPT (0.48) PPIDCA1CA2L3MBTL1EPHX2

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
US-8901295-B2 Inhibitors of cyclophilins and uses thereof INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2014-12-02 — — US disclosed
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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