SCHEMBL8290101

SCHEMBL8290101

C=C(C)OC(=O)N[C@@H](CC(=O)O)Cc1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 1/20 0.51
MMEL1 Q495T6 12/20 0.48
MME P08473 4/20 0.48
CTSL P07711 3/20 0.43
FFAR1 O14842 1/20 0.43
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41
CTSV O60911 2/20 0.40
CTSB P07858 2/20 0.40
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40

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
SCHEMBL742226 0.82 CTSL (0.62) FFAR2MMEL1MMECTSLCTSB
SCHEMBL1519856 0.82 CTSL (0.62) FFAR2MMEL1MMECTSLCTSB
SCHEMBL742227 0.82 CTSL (0.62) FFAR2MMEL1MMECTSLCTSB
SCHEMBL2313273 0.78 FFAR2 (0.77) FFAR2MMEL1MME
SCHEMBL2313265 0.78 FFAR2 (0.77) FFAR2MMEL1MME
SCHEMBL22092530 0.76 FFAR2 (0.54) FFAR2MMEL1MMECTSLCTSV
SCHEMBL14282774 0.75 CTSL (0.59) FFAR2CTSLCTSBCTSSCTSK
SCHEMBL12752631 0.75 MAPK1 (0.57) MME
SCHEMBL13702536 0.74 MME (0.59) FFAR2MMEL1MME
SCHEMBL2319102 0.74 FFAR2 (0.68) FFAR2MMEL1MMECTSLCTSV

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-2005056003-A1 DPP-IV INHIBITORS SANTHERA PHARMACEUTICALS (SCHWEIZ) GMBH (CH) 2005-06-23 WO disclosed