SCHEMBL6944673

SCHEMBL6944673

CC(C)C[C@@H](C(=O)NN(c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O)[C@H](CC=Cc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.34
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
HPGD P15428 1/20 0.33
MMP1 P03956 1/20 0.32
FCER2 P06734 1/20 0.32
MAPT P10636 3/20 0.32
CACNA1B Q00975 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.31
P2RX3 P56373 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
SCHEMBL6942441 0.97 ADAM17 (0.45) ADAM17SMN1; SMN2GRIK1GRIK2HPGD
SCHEMBL6947352 0.93 ADAM17 (0.51) ADAM17P2RX3
SCHEMBL6945960 0.92 ADAM17 (0.51) ADAM17P2RX3
SCHEMBL6940024 0.90 ADAM17 (0.48) ADAM17SMN1; SMN2GRIK1GRIK2MMP1
SCHEMBL6943250 0.90 ADAM17 (0.50) ADAM17SMN1; SMN2GRIK1GRIK2HPGD
SCHEMBL6942385 0.87 ADAM17 (0.45) ADAM17SMN1; SMN2FCER2P2RX3
SCHEMBL6943306 0.87 ADAM17 (0.45) ADAM17MMP1P2RX3
SCHEMBL6942217 0.86 ADAM17 (0.49) ADAM17P2RX3
SCHEMBL6940527 0.86 ADAM17 (0.46) ADAM17P2RX3
SCHEMBL6937788 0.86 ADAM17 (0.51) ADAM17P2RX3

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-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed