SCHEMBL6946243

SCHEMBL6946243

CC(C)C[C@@H](C(=O)NN(Cc1ccncc1)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.53
TGFBR1 P36897 1/20 0.31
P2RX3 P56373 1/20 0.31
APP P05067 1/20 0.31
MMP2 P08253 2/20 0.30
MMP9 P14780 2/20 0.30
ANPEP P15144 2/20 0.30
LTA4H P09960 1/20 0.30
LAP3 P28838 1/20 0.30
NPEPPS P55786 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 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
SCHEMBL6943975 0.96 ADAM17 (0.56) ADAM17TGFBR1P2RX3APPMMP2
SCHEMBL6941619 0.93 ADAM17 (0.52) ADAM17TGFBR1APP
SCHEMBL6945333 0.93 ADAM17 (0.55) ADAM17TGFBR1P2RX3APPMMP2
SCHEMBL6943951 0.93 ADAM17 (0.51) ADAM17TGFBR1APPMMP2MMP9
SCHEMBL6947186 0.92 ADAM17 (0.52) ADAM17APPMMP9
SCHEMBL6945312 0.91 ADAM17 (0.53) ADAM17P2RX3APPMMP2MMP9
SCHEMBL6944330 0.90 ADAM17 (0.52) ADAM17TGFBR1P2RX3APPMMP2
SCHEMBL6943250 0.90 ADAM17 (0.50) ADAM17MMP2MMP9
SCHEMBL6939910 0.90 ADAM17 (0.57) ADAM17TGFBR1P2RX3APPMMP2
SCHEMBL6939914 0.90 ADAM17 (0.57) ADAM17TGFBR1P2RX3APPMMP2

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