Sugi Predict

Sugi Predict / Compounds / SCHEMBL7607948

SCHEMBL7607948

SCHEMBL7607948

CSCC[C@H](NNC(=O)[C@@H](NC(=O)C(CC(=O)O)c1ccc(-c2ccc(-c3ccccc3)cc2)o1)C(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 1/20 0.38
▸ MMP2 P08253 7/20 0.36
▸ MMP3 P08254 4/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35

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
SCHEMBL7410197 0.81 MMP2 (0.50) MMP2MMP3
SCHEMBL7410195 0.81 MMP2 (0.50) MMP2MMP3
SCHEMBL7403500 0.72 MMP2 (0.43) MMP2MMP3
SCHEMBL7608028 0.72 MMP2 (0.43) MMP2MMP3
SCHEMBL7405181 0.67 MAPK1 (0.49) ALDH1A1
SCHEMBL7610751 0.67 MAPK1 (0.49) ALDH1A1
SCHEMBL7763115 0.66 L3MBTL1 (0.36) ALDH1A1
SCHEMBL7608035 0.63 SUCNR1 (0.36) MMP2MMP3ALDH1A1
SCHEMBL17825373 0.63 FNTA (0.43) LTA4HFNTAFNTB
SCHEMBL7404324 0.61 MMP2 (0.45) MMP2MMP3ALDH1A1

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