SCHEMBL6947541

SCHEMBL6947541

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@H](Cc1cc2ccccc2o1)C(=O)NOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 2/20 0.33
TAS1R3 Q7RTX0 2/20 0.33
TAS1R1 Q7RTX1 2/20 0.33
CTSK P43235 9/20 0.32
CTSS P25774 6/20 0.32
CTSL P07711 5/20 0.32
CTSB P07858 3/20 0.32
CTSV O60911 2/20 0.32
PSMB5 P28074 2/20 0.32
FCER2 P06734 1/20 0.32
OPRK1 P41145 1/20 0.32
PSMB8 P28062 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MCL1 Q07820 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
SCHEMBL6942312 0.83 ADAM17 (0.46) ADAM17FCER2ALDH1A1
SCHEMBL6940320 0.82 ADAM17 (0.58) ADAM17RAB9ATAS1R3TAS1R1CTSK
SCHEMBL6944677 0.82 ADAM17 (0.40) ADAM17
SCHEMBL6945567 0.81 ADAM17 (0.44) ADAM17KDM4E
SCHEMBL6944319 0.81 ADAM17 (0.45) ADAM17
SCHEMBL6943561 0.81 ADAM17 (0.67) ADAM17ALDH1A1
SCHEMBL6945143 0.81 ADAM17 (0.44) ADAM17
SCHEMBL6944373 0.79 ADAM17 (0.52) ADAM17
SCHEMBL6942960 0.79 ADAM17 (0.43) ADAM17CTSKCTSSCTSLCTSB
SCHEMBL6945603 0.79 ADAM17 (0.38) ADAM17

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed