SCHEMBL9068522

SCHEMBL9068522

CC(C)CC(CS)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.81
MMP2 P08253 1/20 0.71
MMP7 P09237 1/20 0.71
MMP9 P14780 1/20 0.71
MMP12 P39900 1/20 0.71
MMP13 P45452 1/20 0.71
ECE1 P42892 1/20 0.65

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
SCHEMBL9751225 1.00 MME (0.81) MMEMMP2MMP7MMP9MMP12
SCHEMBL4371284 0.90 MME (0.72) MMEMMP2MMP7MMP9MMP12
SCHEMBL8895948 0.90 MMP1 (0.72) MMEMMP2MMP7MMP9MMP12
SCHEMBL8895943 0.90 MMP1 (0.72) MMEMMP2MMP7MMP9MMP12
SCHEMBL8249769 0.89 MME (1.00) MME
SCHEMBL2679032 0.89 MME (1.00) MME
SCHEMBL5869271 0.89 MME (1.00) MME
SCHEMBL5869412 0.89 MME (1.00) MME
SCHEMBL2679035 0.89 MME (1.00) MME
SCHEMBL11438800 0.89 MME (0.79) MME

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed
EP-0358660-A4 SYNTHETIC INHIBITORS OF MAMMALIAN COLLAGENASE 1991-01-09 EP disclosed
EP-0358660-A1 SYNTHETIC INHIBITORS OF MAMMALIAN COLLAGENASE. RES CORP TECHNOLOGIES INC (US) 1990-03-21 EP disclosed
WO-1988006890-A1 SYNTHETIC INHIBITORS OF MAMMALIAN COLLAGENASE RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1988-09-22 WO disclosed