SCHEMBL6608096

SCHEMBL6608096

C=C(C(=O)OC)N(Cc1ccccc1NC(=O)c1ccco1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.50
MAPK1 P28482 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
KMT2A Q03164 8/20 0.49
MEN1 O00255 6/20 0.49
MAPT P10636 5/20 0.49
KDM4E B2RXH2 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47

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
SCHEMBL5656436 0.86 LMNA (0.48) KMT2AMAPTKDM4ENPC1RAB9A
SCHEMBL5656058 0.85 POLB (0.48) ALDH1A1HSD17B10KMT2AMAPTKDM4E
SCHEMBL6610841 0.83 KEAP1 (0.48) ALDH1A1HSD17B10KMT2AKDM4EL3MBTL1
SCHEMBL6609938 0.83 MAPT (0.48) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6607925 0.83 POLB (0.50) ALDH1A1KMT2AMAPTKDM4EGAA
SCHEMBL6610090 0.83 SNCA (0.47) KMT2AMEN1MAPTKDM4EL3MBTL1
SCHEMBL6610937 0.82 POLB (0.48) HSD17B10KMT2AMAPTKDM4ESMN1; SMN2
SCHEMBL6608669 0.82 KMT2A (0.48) HSD17B10KMT2AMEN1MAPTKDM4E
SCHEMBL7225293 0.82 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL6611811 0.81 KDM4E (0.48) ALDH1A1HSD17B10KMT2AMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1147095-B1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS WYETH CORP (US) 2004-08-11 EP disclosed
US-6544984-B1 Treating disease conditions mediated by matrix metalloproteinases and TACE, such as tumor growth, osteoarthritis, rheumatoid arthritis and degenerative cartilage loss. AMERICAN CYANAMID COMPANY 2003-04-08 US disclosed
EP-1147095-A1 2, 3, 4, 5-TETRAHYDRO-1H-[1, 4] BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2001-10-24 EP disclosed
EP-1051407-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS American Cyanamid Company (US) 2000-11-15 EP disclosed
WO-2000044730-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]BENZODIAZEPINE-3-HYDROXAMIC ACID AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-08-03 WO disclosed
US-6071903-A ENZYME INHIBITORS OF MATRIX METALLOPROTEINASES (MMPS); ANTITUMOR,-CARCINOGENIC AND -ARTHRITIC AGENTS; OSTEOARTHRITIS; RHEUMATOID DISEASES; DEGENERATIVE CARTILAGE LOSS; LONG-ACTING, ORALLY BIOAVAILABLE NONPEPTIDE INHIBITORS AMERICAN CYANAMID COMPANY (US) 2000-06-06 US disclosed
WO-1999037625-A1 2,3,4,5-TETRAHYDRO-1H-[1,4]-BENZODIAZEPINE-3-HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASE INHIBITORS AMERICAN CYANAMID COMPANY (US) 1999-07-29 WO disclosed