SCHEMBL7651206

SCHEMBL7651206

C=CCC(C(=O)O)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 15/20 0.67
MMP3 P08254 15/20 0.67
MMP7 P09237 14/20 0.67
MMP1 P03956 13/20 0.66
MMP8 P22894 2/20 0.66
ADAM17 P78536 1/20 0.66
MMP9 P14780 1/20 0.66
MMP12 P39900 1/20 0.66
MMP13 P45452 1/20 0.66
MMP14 P50281 1/20 0.66
ALDH1A1 P00352 1/20 0.56
THRB P10828 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
HSD17B10 Q99714 1/20 0.56

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
SCHEMBL6803244 1.00 MMP2 (0.67) MMP2MMP3MMP7MMP1MMP8
SCHEMBL7651203 1.00 MMP2 (0.67) MMP2MMP3MMP7MMP1MMP8
SCHEMBL4428170 0.92 MMP2 (0.81) MMP2MMP3MMP7MMP1MMP8
SCHEMBL6804731 0.92 MMP2 (0.66) MMP2MMP3MMP7MMP1MMP8
SCHEMBL6797912 0.92 MMP2 (0.65) MMP2MMP3MMP7MMP1MMP8
SCHEMBL7376771 0.91 MMP2 (0.72) MMP2MMP3MMP7MMP1MMP8
SCHEMBL6801588 0.91 MMP2 (0.62) MMP2MMP3MMP7MMP1MMP8
SCHEMBL6801553 0.90 MMP3 (0.63) MMP2MMP3MMP7MMP1MMP8
SCHEMBL6808424 0.89 MMP2 (0.62) MMP2MMP3MMP7MMP1MMP8
SCHEMBL7654835 0.86 MMP2 (0.59) MMP2MMP3MMP7MMP1MMP8

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-6462023-B1 SUCH AS 2-HYDROXY-HYDROXYCARBAMOYL-METHYL)-4-METHYL-PENTANOYLAMINE)-2-PHENYL -ETHANOIC ACID CYCLOPENTYL ESTER; INHIBITING HYPERPROLIFERATIVE TUMOURGENIC CELLS SUCH AS MELANOMA AND/OR LYMPHOMA CELLS BRITISH BIOTECH PHARMACEUTICALS, LTD. (GB) 2002-10-08 US disclosed