SCHEMBL6946732

SCHEMBL6946732

C=CCN(NC(=O)[C@H](CC(C)C)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.55
MMP2 P08253 13/20 0.32
MMP3 P08254 11/20 0.32
MMP7 P09237 10/20 0.32
MMP1 P03956 8/20 0.32
MMP9 P14780 3/20 0.32
MMP8 P22894 2/20 0.32
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
MMP14 P50281 1/20 0.32
TGFBR1 P36897 1/20 0.31
P2RX3 P56373 1/20 0.30
APP P05067 1/20 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
SCHEMBL6947109 0.95 ADAM17 (0.57) ADAM17MMP2MMP9TGFBR1P2RX3
SCHEMBL6939914 0.92 ADAM17 (0.57) ADAM17MMP2MMP9TGFBR1P2RX3
SCHEMBL6943561 0.92 ADAM17 (0.67) ADAM17MMP2MMP9TGFBR1P2RX3
SCHEMBL6939910 0.92 ADAM17 (0.57) ADAM17MMP2MMP9TGFBR1P2RX3
SCHEMBL6946758 0.92 ADAM17 (0.53) ADAM17MMP2MMP3MMP7MMP1
SCHEMBL6943674 0.91 ADAM17 (0.55) ADAM17MMP2MMP3MMP7TGFBR1
SCHEMBL6942461 0.91 ADAM17 (0.56) ADAM17MMP2MMP9TGFBR1P2RX3
SCHEMBL6945556 0.91 ADAM17 (0.58) ADAM17MMP2MMP7MMP1MMP9
SCHEMBL6943362 0.91 ADAM17 (0.56) ADAM17MMP2MMP9TGFBR1P2RX3
SCHEMBL6946725 0.91 ADAM17 (0.56) ADAM17MMP2MMP9TGFBR1P2RX3

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