SCHEMBL6942429

SCHEMBL6942429

CC(C)C[C@@H](C(=O)NN(CCc1ccccc1)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.55
APP P05067 3/20 0.33
PSMB5 P28074 1/20 0.31
MMP2 P08253 5/20 0.31
MMP1 P03956 4/20 0.31
MMP7 P09237 3/20 0.31
MMP9 P14780 2/20 0.31
MMP13 P45452 2/20 0.31
MMP10 P09238 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
MMP14 P50281 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
TGFBR1 P36897 1/20 0.31
CTSC P53634 1/20 0.31
MMP3 P08254 4/20 0.30
CA1 P00915 2/20 0.30

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
SCHEMBL6941619 0.96 ADAM17 (0.52) ADAM17APPTGFBR1
SCHEMBL6945781 0.96 ADAM17 (0.53) ADAM17APPPSMB5MMP2MMP1
SCHEMBL6942461 0.93 ADAM17 (0.56) ADAM17APPMMP2MMP9TGFBR1
SCHEMBL6943975 0.93 ADAM17 (0.56) ADAM17APPPSMB5MMP2MMP1
SCHEMBL6946725 0.93 ADAM17 (0.56) ADAM17APPMMP2MMP9TGFBR1
SCHEMBL6945556 0.93 ADAM17 (0.58) ADAM17APPMMP2MMP1MMP7
SCHEMBL6945793 0.92 ADAM17 (0.55) ADAM17APPMMP2MMP1MMP9
SCHEMBL6943880 0.92 ADAM17 (0.55) ADAM17APPMMP2MMP9TGFBR1
SCHEMBL6942509 0.91 ADAM17 (0.55) ADAM17APPMMP2MMP1MMP7
SCHEMBL6946967 0.91 ADAM17 (0.55) ADAM17PSEN1PSEN2APH1BNCSTN

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