SCHEMBL6940033

SCHEMBL6940033

CS(=O)(=O)N(NC(=O)[C@H](Cc1ccccc1)[C@H](CC=Cc1ccccc1)C(=O)O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.49
PPARG P37231 4/20 0.39
CNR2 P34972 1/20 0.36
GRIK1 P39086 2/20 0.36
GRIK2 Q13002 2/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
PPARA Q07869 5/20 0.35
CTSC P53634 1/20 0.35
PPARD Q03181 3/20 0.34
HTT P42858 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 1/20 0.33
MMP13 P45452 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
SCHEMBL6939612 0.93 ADAM17 (0.58) ADAM17PPARGCNR2CTSCMEN1
SCHEMBL6944522 0.86 ADAM17 (0.48) ADAM17CNR2GRIK1GRIK2CTSC
SCHEMBL6948294 0.84 ADAM17 (0.48) ADAM17PPARGGRIK1GRIK2CTSC
SCHEMBL6940945 0.80 ADAM17 (0.75) ADAM17MMP2MMP9MMP8MMP13
SCHEMBL6944720 0.79 ADAM17 (0.54) ADAM17CNR2GRIK1GRIK2CTSC
SCHEMBL6942218 0.79 ADAM17 (0.54) ADAM17MEN1KMT2AMMP2
SCHEMBL6939936 0.79 ADAM17 (0.56) ADAM17CTSCHTTMEN1KMT2A
SCHEMBL6943824 0.77 ADAM17 (0.55) ADAM17CTSCMMP2MMP9MMP8
SCHEMBL6939403 0.77 ADAM17 (0.55) ADAM17TRPM8MMP2MMP9MMP8
SCHEMBL6945656 0.76 ADAM17 (0.71) ADAM17MMP2MMP9MMP8MMP13

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