SCHEMBL7231815

SCHEMBL7231815

O=C(NO)C(CCn1ncc2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 13/20 1.00
MMP2 P08253 12/20 1.00
MMP9 P14780 11/20 1.00
MMP13 P45452 11/20 1.00
MMP1 P03956 6/20 0.70
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
MITF O75030 1/20 0.53
PKM P14618 1/20 0.53
KMT2A Q03164 1/20 0.45
HDAC8 Q9BY41 1/20 0.37
MME P08473 2/20 0.36

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
SCHEMBL7232475 0.90 MMP2 (0.82) MMP3MMP2MMP9MMP13MMP1
SCHEMBL7223434 0.83 MMP2 (1.00) MMP3MMP2MMP9MMP13MMP1
SCHEMBL7222078 0.77 MMP2 (1.00) MMP3MMP2MMP9MMP13MMP1
SCHEMBL7223589 0.75 MMP2 (1.00) MMP3MMP2MMP9MMP13MMP1
SCHEMBL7230994 0.75 MMP2 (1.00) MMP3MMP2MMP9MMP13MMP1
SCHEMBL7224527 0.74 MMP2 (0.84) MMP3MMP2MMP9MMP13MMP1
SCHEMBL7233440 0.73 MMP2 (0.81) MMP3MMP2MMP9MMP13MMP1
SCHEMBL15733161 0.73 MMP2 (0.57) MMP3MMP2MMP9MMP13MMP1
SCHEMBL7223278 0.72 MMP2 (0.82) MMP3MMP2MMP9MMP13MMP1
SCHEMBL7230599 0.72 MMP2 (1.00) MMP3MMP2MMP9MMP13MMP1

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 3 patents. 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
EP-1091937-A1 CARBOXYLIC AND HYDROXAMIC ACID COMPOUNDS INHIBITING METALLOPROTEASES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-04-18 EP disclosed
WO-2000000473-A1 CARBOXYLIC AND HYDROXAMIC ACID COMPOUNDS INHIBITING METALLOPROTEASES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2000-01-06 WO disclosed