SCHEMBL6943971

SCHEMBL6943971

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NOC1CCCCO1)C(/C=C/c1ccccc1)(Cc1ccccc1)S(C)(=O)=O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
P2RX3 P56373 1/20 0.31
MMP2 P08253 2/20 0.31
MMP9 P14780 2/20 0.31
ANPEP P15144 2/20 0.31
LTA4H P09960 1/20 0.31
LAP3 P28838 1/20 0.31
NPEPPS P55786 1/20 0.31
ERAP2 Q6P179 1/20 0.31
ERAP1 Q9NZ08 1/20 0.31
TGFBR1 P36897 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 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
SCHEMBL6945328 0.95 ADAM17 (0.33) ADAM17CA1CA2MMP2MMP9
SCHEMBL6947183 0.94 ALDH1A1 (0.32) MMP2MMP9MMP3
SCHEMBL6944327 0.94 TGFBR1 (0.31) CA12CA1CA2CA9P2RX3
SCHEMBL6946835 0.93 ADAM17 (0.32) ADAM17CA12CA1CA2CA9
SCHEMBL6943358 0.93 ADAM17 (0.32) ADAM17P2RX3MMP2MMP9ANPEP
SCHEMBL6943556 0.92 ADAM17 (0.33) ADAM17P2RX3MMP2MMP9ANPEP
SCHEMBL6942209 0.92 ADAM17 (0.33) ADAM17P2RX3MMP2MMP9ANPEP
SCHEMBL8111706 0.92 ADAM17 (0.33) ADAM17P2RX3MMP2MMP9ANPEP
SCHEMBL6946721 0.91 ADAM17 (0.32) ADAM17P2RX3MMP2MMP9ANPEP
SCHEMBL6945554 0.91 ADAM17 (0.33) ADAM17P2RX3MMP2MMP9ANPEP

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 4 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
EP-0993442-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-04-19 EP disclosed
WO-1999001428-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-01-14 WO disclosed