SCHEMBL6689998

SCHEMBL6689998

CN(CCNc1cccc(OC(F)(F)F)c1)C(=O)C(C(N)=O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
CFD P00746 1/20 0.39
CXCR3 P49682 1/20 0.39
GALR2 O43603 1/20 0.38
GALR1 P47211 1/20 0.38
BTK Q06187 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL6685718 0.89 TDP1 (0.48) EPHX1L3MBTL1TDP1
SCHEMBL6685688 0.77 KIF11 (0.38) EPHX1L3MBTL1NPC1RAB9A
SCHEMBL6689992 0.73 CFD (0.41) EPHX1TAS1R3TAS1R1TAS1R2CFD
SCHEMBL6690874 0.72 TDP1 (0.47) EPHX1L3MBTL1TDP1
SCHEMBL6688717 0.71 SMN1; SMN2 (0.50) L3MBTL1NPC1RAB9A
SCHEMBL6690797 0.71 POLB (0.39) EPHX1L3MBTL1NPC1RAB9A
SCHEMBL6685642 0.70 CTSS (0.54) EPHX1L3MBTL1TDP1
SCHEMBL6686917 0.70 CTSS (0.54) EPHX1L3MBTL1TDP1
SCHEMBL6688737 0.68 CTSS (0.47) L3MBTL1TDP1
SCHEMBL4796161 0.68 CTSL (0.43) EPHX1

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-2004084843-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-10-07 WO disclosed