SCHEMBL7365482

SCHEMBL7365482

CC(C)C(C(=O)O)N(C(=O)OCc1ccccc1)C(=O)C(Cc1ccccc1)NF

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 4/20 0.43
▸ CTSL P07711 3/20 0.43
▸ CTSS P25774 3/20 0.43
▸ CTSK P43235 3/20 0.43
▸ ABCB1 P08183 1/20 0.42
▸ CAPN1 P07384 1/20 0.41
▸ TACR1 P25103 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ THRB P10828 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ ALOX15 P16050 1/20 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
SCHEMBL5065711 0.83 ALDH1A1 (0.50) CTSBCTSLCTSSCTSKABCB1
SCHEMBL7275440 0.82 SLC15A1 (0.47) CTSBABCB1ALDH1A1HSD17B10
SCHEMBL28721530 0.80 ABCB1 (0.45) CTSBCTSLCTSSCTSKABCB1
SCHEMBL28721531 0.80 ABCB1 (0.45) CTSBCTSLCTSSCTSKABCB1
SCHEMBL30953186 0.79 ITGB3 (0.42) CTSL
SCHEMBL8111386 0.77 ALDH1A1 (0.47) CTSKABCB1ALDH1A1CYP2C9CYP2C19
SCHEMBL7420644 0.77 ANPEP (0.43) CTSBCTSLCTSSCTSKCAPN1
SCHEMBL7410587 0.75 L3MBTL1 (0.43) ALDH1A1HSD17B10
SCHEMBL28418276 0.74 ALDH1A1 (0.47) CTSBABCB1ALDH1A1THRBCYP2C9
SCHEMBL28418277 0.74 ALDH1A1 (0.47) CTSBABCB1ALDH1A1THRBCYP2C9

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
WO-1998025949-A1 SUBSTITUTED 5-AMINO-1,3,4-THIADIAZOLE-2-THIONES PROSCRIPT, INC. (US) 1998-06-18 — — WO disclosed
EP-0845002-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1998-06-03 — — EP disclosed
US-5677282-A ENZYME INHIBITOR; OSTEOARTHRITIS AND RHEUMATIC DISORDERS PROSCRIPT, INC. (US) 1997-10-14 — — US disclosed
WO-1996040745-A2 AMINO ACID AMIDES OF 5-AMINO-1,3,4-THIADIAZONES AND THEIR USE AS INHIBITORS FOR MATRIX METALLOPROTEINASES PROSCRIPT, INC. (US) 1996-12-19 — — WO disclosed
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