SCHEMBL7410773

SCHEMBL7410773

CCCCOC(=O)NC(CC(=O)N[C@H](COC)Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.47
CTSS P25774 3/20 0.47
CTSK P43235 3/20 0.47
LPAR1 Q92633 2/20 0.46
LPAR3 Q9UBY5 2/20 0.46
CTRB1 P17538 2/20 0.46
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 1/20 0.45
ACE P12821 1/20 0.44
ACE2 Q9BYF1 1/20 0.44
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
CTSB P07858 1/20 0.43

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
SCHEMBL15569270 0.85 CTSS (0.57) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL29604304 0.85 CTSK (0.52) CTSLCTSKLPAR1LPAR3CTRB1
SCHEMBL6254290 0.83 CASP1 (0.57) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL4452037 0.83 CASP1 (0.57) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL15569577 0.80 CTSS (0.51) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL15569565 0.79 CTSS (0.55) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL7761583 0.79 CTSS (0.55) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL5550159 0.79 CTSS (0.55) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL2026643 0.79 SIRT2 (0.52) CTSLCTSSCTSKALDH1A1CYP3A4
SCHEMBL7423094 0.79 SIRT2 (0.53) CTSLCTSSCTSKALDH1A1ALOX15

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
EP-0937042-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1999-08-25 EP disclosed
WO-1998017643-A1 HETEROARYL SUCCINAMIDES AND THEIR USE AS METALLOPROTEINASE INHIBITORS AGOURON PHARMACEUTICALS, INC. (US) 1998-04-30 WO disclosed