SCHEMBL6940316

SCHEMBL6940316

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NO)C(CC(C)C)(c1cc2ccccc2o1)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.37
TAS1R1 Q7RTX1 2/20 0.37
CTSK P43235 3/20 0.37
MMP2 P08253 1/20 0.36
ADAM17 P78536 7/20 0.36
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
MAOB P27338 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL6947540 0.83 CTSK (0.33) TAS1R3TAS1R1CTSKMMP2LMNA
SCHEMBL6942381 0.81 ADAM17 (0.40) MMP2ADAM17
SCHEMBL6942609 0.71 ADAM17 (0.42) MMP2ADAM17
SCHEMBL6945575 0.71 MMP2 (0.39) MMP2ADAM17
SCHEMBL4481740 0.71 ADAM17 (0.46) MMP2ADAM17
SCHEMBL6942610 0.71 ADAM17 (0.46) MMP2ADAM17
SCHEMBL6941949 0.70 ADAM17 (0.37) MMP2ADAM17
SCHEMBL6940240 0.70 ADAM17 (0.37) MMP2ADAM17
SCHEMBL6943861 0.70 ADAM17 (0.39) MMP2ADAM17LMNACTSB
SCHEMBL6940820 0.69 ECE1 (0.38) CTSKCTSBCTSSNPC1RAB9A

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 3 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
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