SCHEMBL12643638

SCHEMBL12643638

C=C(OCC)[C@@H](CCCNC(C)=O)NC(=O)NCc1ccc(N)cc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPID Q08752 6/20 0.57
▸ PPIB P23284 4/20 0.49
▸ PPIG Q13427 2/20 0.49
▸ PPIA P62937 1/20 0.49
▸ ATM Q13315 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ ANPEP P15144 1/20 0.38
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ KLKB1 P03952 1/20 0.37
▸ LCK P06239 1/20 0.36
▸ ITGB3 P05106 1/20 0.36
▸ ITGAV P06756 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
SCHEMBL12643652 0.90 PPID (0.69) PPIDPPIBPPIGPPIAATM
SCHEMBL16270312 0.90 PPID (0.69) PPIDPPIBPPIGPPIAATM
SCHEMBL12643966 0.87 PPID (0.68) PPIDPPIBPPIGPPIAATM
SCHEMBL12643632 0.87 PPID (0.68) PPIDPPIBPPIGPPIAATM
SCHEMBL2034565 0.83 FOLH1 (0.51) PPIDITGB3ITGAV
SCHEMBL12643631 0.81 PPID (0.80) PPIDPPIBPPIGPPIAATM
SCHEMBL2039557 0.80 FOLH1 (0.56) PPIDITGB3ITGAV
SCHEMBL19882161 0.76 PPID (0.53) PPIDATML3MBTL1HTTCASP1
SCHEMBL12643650 0.73 MAPT (0.48) PPIDL3MBTL1CA1CA2
SCHEMBL2040765 0.73 PPID (1.00) PPIDPPIBPPIGPPIAATM

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
Send feedback