SCHEMBL6983815

SCHEMBL6983815

CC(C)CNNC(=O)[C@H](CC(C)C)[C@H](CCCc1ccccc1)C(=O)NOC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 2/20 0.41
MMP13 P45452 1/20 0.41
MMP2 P08253 7/20 0.35
MMP3 P08254 6/20 0.35
APP P05067 1/20 0.35
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
HPGD P15428 1/20 0.34
CYP1A2 P05177 1/20 0.34
EPHX2 P34913 2/20 0.34

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
SCHEMBL7840445 0.89 MMP1 (0.46) MMP1MMP13MMP2MMP3APP
SCHEMBL6987301 0.84 BMP1 (0.34) MMP2CCNA2CDK2CCNA1CDK5
SCHEMBL4290067 0.84 MMP2 (0.41) MMP1MMP2MMP3HPGDEPHX2
SCHEMBL6942326 0.84 MMP1 (0.39) MMP1MMP13MMP2MMP3APP
SCHEMBL6940058 0.83 CTSK (0.38) MMP1MMP13MMP2MMP3CYP1A2
SCHEMBL6983937 0.82 ADAM17 (0.42) MMP2APPCCNA2CDK2CCNA1
SCHEMBL6221034 0.82 MMP1 (0.38) MMP1MMP13MMP2MMP3APP
SCHEMBL7828836 0.82 MMP1 (0.37) MMP1MMP13MMP2MMP3APP
SCHEMBL6986871 0.81 MMP1 (0.37) MMP1MMP13MMP2MMP3APP
SCHEMBL7835338 0.81 MMP1 (0.37) MMP1MMP13MMP2MMP3APP

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-1089964-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-10-29 EP disclosed
US-6239151-B1 TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES, OSTEOARTHRITIS, RESPIRATORY DISEASES, TUMORS, CACHEXIA, CARDIOVASCULAR DISEASES, FEVER, HAEMORRHAGE AND SEPSIS, HYDRAZINE DERIVATIVES, HOFFMANN-LA ROCHE INC. 2001-05-29 US disclosed