SCHEMBL6945324

SCHEMBL6945324

CC(C)=C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@@H](C(=O)O)C1CCCC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.37
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL6944230 0.91 ADAM17 (0.40) ADAM17TSHR
SCHEMBL6947526 0.81 ADAM17 (0.47) ADAM17POLBTSHRMEN1KMT2A
SCHEMBL6947013 0.74 MMP1 (0.52) ADAM17
SCHEMBL6940005 0.69 ADAM17 (0.41) ADAM17POLBMEN1KMT2A
SCHEMBL6942476 0.65 ADAM17 (0.45) ADAM17
SCHEMBL16415924 0.59 SMN1; SMN2 (0.38) ADAM17TSHRMEN1KMT2A
SCHEMBL30093936 0.58 EPHX1 (0.44)
SCHEMBL10879040 0.58 ATM (0.41)
SCHEMBL5512591 0.58 SMN1; SMN2 (0.43)
SCHEMBL5519131 0.58 SMN1; SMN2 (0.43)

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 4 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
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