SCHEMBL8107345

SCHEMBL8107345

COc1ccc(C(/C=C/c2ccccc2)([C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)NN)S(C)(=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 3/20 0.41
MMP1 P03956 9/20 0.38
MMP9 P14780 4/20 0.38
MMP13 P45452 4/20 0.38
MMP2 P08253 6/20 0.37
MMP3 P08254 6/20 0.37
MMP8 P22894 1/20 0.37
EGFR P00533 1/20 0.36
ANPEP P15144 2/20 0.36
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6945653 0.90 ADAM17 (0.45) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6940018 0.85 MMP2 (0.33) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6945116 0.84 ADAM17 (0.40) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6945777 0.80 ADAM17 (0.47) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6941579 0.80 ADAM17 (0.46) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6947691 0.79 ADAM17 (0.40) ADAM17MMP1MMP2MMP3EGFR
SCHEMBL4481740 0.79 ADAM17 (0.46) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6942610 0.79 ADAM17 (0.46) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6939409 0.79 ADAM17 (0.46) ADAM17MMP1MMP9MMP13MMP2
SCHEMBL6941767 0.79 ADAM17 (0.46) ADAM17MMP1MMP9MMP13MMP2

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