SCHEMBL6943399

SCHEMBL6943399

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 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
P2RX3 P56373 1/20 0.32
ADAM17 P78536 2/20 0.32
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
KLK7 P49862 1/20 0.30
TGFBR1 P36897 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
SCHEMBL6942260 0.98 ALDH1A1 (0.32) ALDH1A1GAAP2RX3ADAM17MMP2
SCHEMBL6943358 0.98 ADAM17 (0.32) ALDH1A1GAAP2RX3ADAM17MMP2
SCHEMBL7937084 0.93 ALDH1A1 (0.33) ALDH1A1GAAP2RX3ADAM17MMP2
SCHEMBL8111706 0.92 ADAM17 (0.33) ALDH1A1GAAP2RX3ADAM17MMP2
SCHEMBL6942209 0.92 ADAM17 (0.33) ALDH1A1GAAP2RX3ADAM17MMP2
SCHEMBL6943556 0.92 ADAM17 (0.33) ALDH1A1GAAP2RX3ADAM17MMP2
SCHEMBL6946925 0.91 ADAM17 (0.33) P2RX3ADAM17MMP2MMP9ANPEP
SCHEMBL6946721 0.90 ADAM17 (0.32) P2RX3ADAM17MMP2MMP9ANPEP
SCHEMBL6945554 0.90 ADAM17 (0.33) ALDH1A1P2RX3ADAM17MMP2MMP9
SCHEMBL6946731 0.90 ADAM17 (0.33) P2RX3ADAM17MMP2MMP9ANPEP

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