SCHEMBL6939853

SCHEMBL6939853

CC(C)C[C@@H](C(=O)NN(Cc1ccccn1)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.53
CNR2 P34972 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
TGFBR1 P36897 1/20 0.32
P2RX3 P56373 1/20 0.32
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
LNPEP Q9UIQ6 1/20 0.31
MMP2 P08253 4/20 0.31
BMP1 P13497 1/20 0.31
MMP9 P14780 3/20 0.31
ANPEP P15144 2/20 0.30
LTA4H P09960 1/20 0.30
LAP3 P28838 1/20 0.30
NPEPPS P55786 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 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
SCHEMBL6943975 0.91 ADAM17 (0.56) ADAM17TGFBR1P2RX3KMT2AMMP2
SCHEMBL6946243 0.90 ADAM17 (0.53) ADAM17TGFBR1P2RX3MMP2MMP9
SCHEMBL6943561 0.89 ADAM17 (0.67) ADAM17TGFBR1P2RX3KMT2AMMP2
SCHEMBL6939910 0.89 ADAM17 (0.57) ADAM17TGFBR1P2RX3KMT2AMMP2
SCHEMBL6947109 0.89 ADAM17 (0.57) ADAM17TGFBR1P2RX3KMT2AMMP2
SCHEMBL6939914 0.89 ADAM17 (0.57) ADAM17TGFBR1P2RX3KMT2AMMP2
SCHEMBL6945333 0.88 ADAM17 (0.55) ADAM17TGFBR1P2RX3KMT2AMMP2
SCHEMBL7103578 0.88 ADAM17 (0.50) ADAM17CNR2SMN1; SMN2MAPK1TGFBR1
SCHEMBL6942461 0.88 ADAM17 (0.56) ADAM17TGFBR1P2RX3MMP2MMP9
SCHEMBL6945556 0.88 ADAM17 (0.58) ADAM17TGFBR1P2RX3MMP2MMP9

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