SCHEMBL6942708

SCHEMBL6942708

CC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@H](CCCc1cccnc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.49
TBXAS1 P24557 13/20 0.43
PTAFR P25105 3/20 0.41
ALDH1A1 P00352 1/20 0.40
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
NAMPT P43490 1/20 0.37

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
SCHEMBL6942522 0.92 ADAM17 (0.55) ADAM17TBXAS1PTAFRALDH1A1MMP2
SCHEMBL6942091 0.88 ADAM17 (0.46) ADAM17TBXAS1PTAFRALDH1A1MMP2
SCHEMBL6942216 0.88 ADAM17 (0.43) ADAM17TBXAS1PTAFRALDH1A1MMP2
SCHEMBL6939992 0.75 ADAM17 (0.41) ADAM17ALDH1A1
SCHEMBL10399198 0.74 TBXAS1 (0.56) TBXAS1PTAFR
SCHEMBL10399199 0.74 TBXAS1 (0.56) TBXAS1PTAFR
SCHEMBL6942387 0.73 ADAM17 (0.71) ADAM17MMP2MMP9
SCHEMBL9522892 0.70 TBXAS1 (0.58) TBXAS1PTAFR
SCHEMBL6940003 0.70 ADAM17 (0.70) ADAM17MMP2MMP9NAMPT
SCHEMBL7099919 0.70 ADAM17 (0.51) ADAM17MMP2MMP9

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