SCHEMBL6690102

SCHEMBL6690102

CCCCCc1c[nH]cc1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.47
PPARA Q07869 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
ALOX5 P09917 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
GRK6 P43250 2/20 0.38
CNR1 P21554 1/20 0.38
GPR35 Q9HC97 1/20 0.38
ALOX12 P18054 1/20 0.37
PTGES O14684 1/20 0.37
PTGS2 P35354 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL9291583 0.98 CNR2 (0.46) CNR2PPARAALDH1A1KMT2AKDM4E
SCHEMBL1155956 0.88 ALDH1A1 (0.40) CNR2PPARAALDH1A1KMT2AKDM4E
SCHEMBL12466297 0.84 TSHR (0.42) CNR2ALDH1A1KMT2AKDM4EHPGD
SCHEMBL1156440 0.82 NR4A2 (0.41) ALDH1A1KMT2AKDM4EHPGDL3MBTL1
SCHEMBL12466549 0.82 TSHR (0.44) ALDH1A1KMT2AKDM4EHPGDCYP1A2
SCHEMBL12466660 0.78 ALDH1A1 (0.45) ALDH1A1KDM4EHPGDL3MBTL1CYP1A2
SCHEMBL12466795 0.78 ALDH1A1 (0.45) ALDH1A1KMT2AKDM4EHPGDMEN1
SCHEMBL28106654 0.77 ALDH1A1 (0.64) PPARAALDH1A1KMT2AL3MBTL1ALOX5
SCHEMBL11552750 0.75 ALDH1A1 (0.62) PPARAALDH1A1KMT2AL3MBTL1CYP1A2
SCHEMBL29148965 0.75 ALDH1A1 (0.62) PPARAALDH1A1KMT2AL3MBTL1CYP1A2

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