SCHEMBL8097948

SCHEMBL8097948

CC(C)CC(/C=C\c1ccccc1S(C)(=O)=O)[C@H](C(=O)NOC1CCCCO1)[C@@H](CC(C)C)C(=O)NN

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
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
SLC6A3 Q01959 2/20 0.30
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
SCHEMBL6983935 0.87 CTSK (0.36) P2RX3MMP2MMP9ANPEPLTA4H
SCHEMBL6937840 0.82 ADAM17 (0.34) P2RX3MMP2MMP9ANPEPLTA4H
SCHEMBL6947398 0.82 ADAM17 (0.34) P2RX3MMP2MMP9ANPEPLTA4H
SCHEMBL6943373 0.76 ADAM17 (0.33) P2RX3MMP2MMP9ANPEPLTA4H
SCHEMBL6937784 0.76 ADAM17 (0.33) P2RX3MMP2MMP9ANPEPLTA4H
SCHEMBL6942237 0.75 MMP1 (0.37) MMP2MMP9
SCHEMBL6983813 0.75 MEN1 (0.36) MMP2MMP9ANPEPLTA4HLAP3
SCHEMBL7955132 0.74 ADAM17 (0.44) P2RX3MMP2MMP9ANPEPLTA4H
SCHEMBL7835552 0.74 ADAM17 (0.44) P2RX3MMP2MMP9ANPEPLTA4H
SCHEMBL6943556 0.73 ADAM17 (0.33) P2RX3MMP2MMP9ANPEPLTA4H

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-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