SCHEMBL9509549

SCHEMBL9509549

CC(C)CC(Cc1ccccc1SCc1ccccc1)(C(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
POLB P06746 2/20 0.41
PTPRC P08575 1/20 0.40
NPY2R P49146 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
S100A4 P26447 1/20 0.35
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA13 Q8N1Q1 2/20 0.35
CA14 Q9ULX7 2/20 0.35
CA5B Q9Y2D0 2/20 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
SCHEMBL9507230 0.81 CTSB (0.40) KMT2AL3MBTL1MEN1HTTSMN1; SMN2
SCHEMBL6158106 0.79 SMN1; SMN2 (0.48) KMT2AL3MBTL1MEN1SMN1; SMN2GAA
SCHEMBL9509591 0.78 FFAR1 (0.39) L3MBTL1GAACYP2D6CYP2C9CYP2C19
SCHEMBL9507226 0.76 L3MBTL1 (0.43) KMT2AL3MBTL1MEN1HTTSMN1; SMN2
SCHEMBL9511010 0.75 IDO1 (0.42) KMT2AMEN1
SCHEMBL9510871 0.73 ALDH1A1 (0.40) KMT2AL3MBTL1MEN1SMN1; SMN2GAA
SCHEMBL9510979 0.71 MMP1 (0.42) KMT2AL3MBTL1MEN1HTTGAA
SCHEMBL6638095 0.70 POLB (0.59) KMT2AL3MBTL1POLBPTPRCMEN1
SCHEMBL8631418 0.70 POLB (0.53) KMT2AL3MBTL1POLBPTPRCMEN1
SCHEMBL9508519 0.69 SMN1; SMN2 (0.41) KMT2AL3MBTL1POLBMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358305-B1 MERCAPTO-PHENYLALCANOYLAMINO ACID AMIDES, THEIR PREPARATION AND THEIR USE AS COLLAGENASE INHIBITORS BEECHAM GROUP PLC (GB) 1993-08-25 EP disclosed
US-5124322-A Antiarthritic agents BEECHAM GROUP P.L.C. (GB) 1992-06-23 US disclosed
EP-0358305-A1 Mercapto-phenylalcanoylamino acid amides, their preparation and their use as collagenase inhibitors BEECHAM GROUP PLC (GB) 1990-03-14 EP disclosed