SCHEMBL6799243

SCHEMBL6799243

CC(C)CCC(=O)N([C@@H](CSc1cccs1)C(=O)NO)[C@@H](Cc1ccccc1)C(=O)OC(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 9/20 0.49
FCER2 P06734 8/20 0.49
MMP2 P08253 5/20 0.49
MMP9 P14780 3/20 0.49
MMP8 P22894 3/20 0.49
MMP3 P08254 3/20 0.49
MMP7 P09237 3/20 0.49
MMP13 P45452 2/20 0.49
MMP14 P50281 2/20 0.49
ADAM17 P78536 2/20 0.49
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK9 P45984 1/20 0.34
MAPK10 P53779 1/20 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
SCHEMBL4421137 1.00 MMP1 (0.49) MMP1FCER2MMP2MMP9MMP8
SCHEMBL6801897 0.86 MMP1 (0.41) MMP1FCER2MMP2MMP9MMP8
SCHEMBL4431934 0.81 MMP8 (0.44) MMP1MMP2MMP9MMP8MMP3
SCHEMBL4421135 0.73 FCER2 (0.80) MMP1FCER2MMP2MMP9MMP8
SCHEMBL7556277 0.71 MMP1 (0.40) MMP1FCER2MMP2MMP9MMP8
SCHEMBL6801313 0.69 MMP1 (0.78) MMP1FCER2MMP2MMP9MMP8
SCHEMBL6796432 0.69 MMP8 (0.42) MMP1MMP2MMP9MMP8MMP3
SCHEMBL4986992 0.67 FCER2 (0.73) MMP1FCER2MMP2MMP9MMP8
Batimastat SCHEMBL10052355 0.66 MMP1 (1.00) MMP1FCER2MMP2MMP9MMP8
Batimastat SCHEMBL20793035 0.66 MMP1 (1.00) MMP1FCER2MMP2MMP9MMP8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6790834-B1 Cytostatic agents BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2004-09-14 US disclosed