SCHEMBL6945781

SCHEMBL6945781

CC(C)C[C@@H](C(=O)NN(CCCc1ccccc1)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.53
APP P05067 2/20 0.32
FKBP1A P62942 2/20 0.32
MMP1 P03956 2/20 0.31
MMP13 P45452 2/20 0.31
PSMB5 P28074 1/20 0.31
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
MMP2 P08253 1/20 0.30
MMP7 P09237 1/20 0.30
MMP10 P09238 1/20 0.30
MMP9 P14780 1/20 0.30
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
MMP14 P50281 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 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
SCHEMBL6942429 0.96 ADAM17 (0.55) ADAM17APPFKBP1AMMP1MMP13
SCHEMBL6945793 0.94 ADAM17 (0.55) ADAM17APPMMP1MMP2MMP9
SCHEMBL6942509 0.93 ADAM17 (0.55) ADAM17APPFKBP1AMMP1MMP13
SCHEMBL6941619 0.92 ADAM17 (0.52) ADAM17APPTGFBR1
SCHEMBL6946725 0.92 ADAM17 (0.56) ADAM17APPMMP2MMP9TGFBR1
SCHEMBL6945556 0.92 ADAM17 (0.58) ADAM17APPMMP1MMP13MMP2
SCHEMBL6942461 0.92 ADAM17 (0.56) ADAM17APPMMP2MMP9TGFBR1
SCHEMBL6943975 0.92 ADAM17 (0.56) ADAM17APPMMP1MMP13PSMB5
SCHEMBL6946758 0.91 ADAM17 (0.53) ADAM17MMP1MMP13MMP2MMP7
SCHEMBL6943880 0.91 ADAM17 (0.55) ADAM17APPMMP2MMP9TGFBR1

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