SCHEMBL6945114

SCHEMBL6945114

CC(C)C[C@@H](C(=O)NN(c1ccccc1)S(C)(=O)=O)[C@H](CNC(=O)c1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.37
ITGAV P06756 3/20 0.37
PTPRC P08575 2/20 0.35
USP30 Q70CQ3 1/20 0.35
PSMB5 P28074 1/20 0.34
CTSL P07711 2/20 0.34
CTSK P43235 2/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
MEN1 O00255 1/20 0.34
POLB P06746 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33

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
SCHEMBL6941639 0.87 MAPT (0.37) ADAM17PSMB5CTSLCTSKCTSB
SCHEMBL6939576 0.85 ADAM17 (0.40) ADAM17PSMB5MAPTKMT2AMEN1
SCHEMBL6940214 0.85 ADAM17 (0.48) ADAM17ITGAVCTSLCTSKCTSB
SCHEMBL6942897 0.81 ADAM17 (0.40) ADAM17KMT2AHPGDMEN1
SCHEMBL7955112 0.81 MAPT (0.40) ADAM17PTPRCCTSLCTSKCTSB
SCHEMBL7836648 0.81 MAPT (0.40) ADAM17PTPRCCTSLCTSKCTSB
SCHEMBL6981775 0.81 KMT2A (0.43) ADAM17ITGAVPTPRCCTSLCTSK
SCHEMBL27508603 0.81 KMT2A (0.43) ADAM17ITGAVPTPRCCTSLCTSK
SCHEMBL7955175 0.81 KMT2A (0.43) ADAM17ITGAVPTPRCCTSLCTSK
SCHEMBL6947989 0.80 MMP1 (0.46) ADAM17PSMB5KMT2AMEN1GAA

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed