SCHEMBL6941577

SCHEMBL6941577

CC(=O)N(NC(=O)[C@H](CC(C)C)[C@H](CCCc1ccccc1)C(=O)NO)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 5/20 0.50
MMP13 P45452 1/20 0.50
MMP8 P22894 2/20 0.47
TSHR P16473 1/20 0.44
MMP2 P08253 5/20 0.43
MMP3 P08254 4/20 0.43
MMP7 P09237 2/20 0.43
FCER2 P06734 4/20 0.43
ANPEP P15144 1/20 0.42
ADAM17 P78536 3/20 0.42
MMP9 P14780 1/20 0.41

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
SCHEMBL6939522 0.87 MMP1 (0.47) MMP1MMP13MMP8TSHRMMP2
SCHEMBL6939528 0.87 MMP1 (0.47) MMP1MMP13MMP8TSHRMMP2
SCHEMBL6943385 0.85 MMP1 (0.44) MMP1MMP13MMP8MMP3MMP9
SCHEMBL7076170 0.83 MMP1 (0.49) MMP1MMP13MMP8TSHRMMP2
SCHEMBL7855580 0.79 MMP1 (0.62) MMP1MMP13MMP8TSHRMMP2
SCHEMBL6942326 0.79 MMP1 (0.39) MMP1MMP13MMP2MMP3
SCHEMBL6943184 0.79 ADAM17 (0.66) MMP1MMP13MMP8MMP2MMP3
SCHEMBL6982654 0.78 MMP1 (0.52) MMP1MMP13MMP8TSHRMMP2
SCHEMBL6985193 0.76 MMP1 (0.50) MMP1MMP13MMP8TSHRMMP2
SCHEMBL7099919 0.75 ADAM17 (0.51) MMP1MMP13MMP8TSHRMMP2

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