SCHEMBL7225679

SCHEMBL7225679

O=C(O)C(CCCN1C(=O)c2ccccc2C1=O)COc1ccc(-c2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 10/20 0.80
MMP9 P14780 10/20 0.80
MMP3 P08254 4/20 0.80
MMP13 P45452 4/20 0.80
MMP1 P03956 1/20 0.69
RAB9A P51151 3/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KMT2A Q03164 4/20 0.44
HPGD P15428 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
MEN1 O00255 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL7230149 0.93 MMP2 (0.70) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7229104 0.93 MMP2 (0.79) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7230599 0.89 MMP2 (1.00) MMP2MMP9MMP3MMP13MMP1
SCHEMBL7229708 0.82 MMP2 (0.64) MMP2MMP9MMP3MMP13MMP1
SCHEMBL9219366 0.82 MMP2 (0.55) MMP2MMP9MMP3MMP13RAB9A
SCHEMBL10674350 0.79 RAB9A (0.82) MMP2MMP9MMP3MMP13MMP1
SCHEMBL8483472 0.78 RAB9A (0.74) MMP2MMP9MMP3MMP13MMP1
SCHEMBL10683303 0.77 RAB9A (0.72) MMP2MMP9MMP3MMP13MMP1
SCHEMBL6578080 0.77 MMP2 (0.51) MMP2MMP9MMP3MMP13RAB9A
SCHEMBL10675533 0.77 RAB9A (0.72) MMP2MMP9MMP3MMP13MMP1

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-6605604-B1 Tumour necrosis factor alpha release inhibitors; efficiency treatment of cancers, rheumatic diseases, arthritis, ulcers, atherosclerosis, asthma LES LABORATOIRES SERVIER (FR) 2003-08-12 US disclosed