Sugi Predict

Sugi Predict / Compounds / SCHEMBL6135717

SCHEMBL6135717

SCHEMBL6135717

CC(C)(C)[C@H](NC(=O)C(CC1CCCC1)CN(O)C=O)C(=O)N1CCC(Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MMP1 P03956 6/20 0.48
▸ MMP13 P45452 3/20 0.48
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.44
▸ MMP2 P08253 2/20 0.42
▸ MMP3 P08254 1/20 0.42

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
SCHEMBL6135501 1.00 MMP1 (0.48) MMP1MMP13MEN1KMT2APOLB
SCHEMBL6135506 1.00 MMP1 (0.48) MMP1MMP13MEN1KMT2APOLB
SCHEMBL6135720 1.00 MMP1 (0.48) MMP1MMP13MEN1KMT2APOLB
SCHEMBL2791130 0.92 MMP1 (0.42) MMP1MMP13
SCHEMBL4887307 0.89 MMP1 (0.45) MMP1MMP13MEN1KMT2AMMP2
SCHEMBL14282177 0.89 MEN1 (0.46) MEN1KMT2APOLBMMP2MMP3
SCHEMBL2795032 0.88 MMP1 (0.45) MMP1MMP13MMP2MMP3
SCHEMBL2795037 0.88 MMP1 (0.45) MMP1MMP13MMP2MMP3
SCHEMBL5496205 0.88 MMP1 (0.45) MMP1MMP13MMP2MMP3
SCHEMBL5496209 0.88 MMP1 (0.45) MMP1MMP13MMP2MMP3

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
US-6908911-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-06-21 — — US disclosed
EP-1210330-B1 ANTIBACTERIAL AGENTS VERNALIS OXFORD LTD (GB) 2005-04-20 — — EP disclosed