SCHEMBL6947540

SCHEMBL6947540

CC(C)C[C@@H](C(=O)NN)[C@@H](C(=O)NOC1CCCCO1)C(CC(C)C)(c1cc2ccccc2o1)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.33
RAB9A P51151 2/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
CTSS P25774 6/20 0.32
CTSL P07711 6/20 0.32
CTSB P07858 4/20 0.32
CTSV O60911 2/20 0.32
P2RX3 P56373 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
MMP2 P08253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
UTS2R Q9UKP6 1/20 0.31

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
SCHEMBL6940316 0.83 TAS1R3 (0.37) CTSKRAB9ATAS1R3TAS1R1CTSS
SCHEMBL6944675 0.78
SCHEMBL6942309 0.78 MMP2 (0.31) CTSLCTSBMMP2
SCHEMBL6945566 0.77 KDM4E (0.33) P2RX3LMNAMMP2KDM4E
SCHEMBL8111706 0.77 ADAM17 (0.33) P2RX3GAAMMP2ALDH1A1
SCHEMBL6945140 0.77
SCHEMBL6943556 0.77 ADAM17 (0.33) P2RX3GAAMMP2ALDH1A1
SCHEMBL6942209 0.77 ADAM17 (0.33) P2RX3GAAMMP2ALDH1A1
SCHEMBL6944369 0.76 P2RX3 (0.36) P2RX3
SCHEMBL7937844 0.76 CTSK (0.33) CTSKRAB9ATAS1R3TAS1R1CTSS

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