SCHEMBL7371966

SCHEMBL7371966

C[C](CCc1ccccc1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.59
KEAP1 Q14145 1/20 0.52
TDP1 Q9NUW8 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
FFAR1 O14842 1/20 0.48
HDAC2 Q92769 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
KDM4E B2RXH2 1/20 0.44
RECQL P46063 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
AKR1B1 P15121 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC1 Q13547 2/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 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
SCHEMBL9267260 0.90 FNTA (0.53) ALDH1A1TDP1L3MBTL1FFAR1
SCHEMBL7441543 0.88 ALDH1A1 (0.67) ALDH1A1KEAP1TDP1L3MBTL1FFAR1
SCHEMBL9315396 0.85 MAPT (0.55) ALDH1A1L3MBTL1HDAC2HDAC8HDAC6
SCHEMBL2792481 0.83 CES1 (0.55) ALDH1A1TDP1L3MBTL1HDAC8HDAC6
SCHEMBL4222999 0.82 ALDH1A1 (0.59) ALDH1A1KEAP1TDP1L3MBTL1FFAR1
SCHEMBL9427256 0.80 ALDH1A1 (0.57) ALDH1A1KEAP1TDP1L3MBTL1FFAR1
SCHEMBL3432106 0.78 MEN1 (0.49) CES2CES1KMT2AMAPK1SMN1; SMN2
SCHEMBL16274 0.78 ALDH1A1 (0.67) ALDH1A1KEAP1TDP1L3MBTL1FFAR1
SCHEMBL10530175 0.78 ALDH1A1 (0.67) ALDH1A1KEAP1TDP1L3MBTL1FFAR1
SCHEMBL9131936 0.77 ALDH1A1 (0.53) ALDH1A1KEAP1TDP1FFAR1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0080595-A1 Alkanesulfonanilide derivatives and pharmaceutically acceptable acid addition salts thereof AMERICAN CYANAMID COMPANY (US) 1983-06-08 EP claimed
EP-1218337-A4 SYNTHESIS OF 3,5,7]-1H-IMIDAZO 1,5-A]IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INST (US) 2002-09-11 EP disclosed
EP-1218337-A1 SYNTHESIS OF 3,5,7]-1H-IMIDAZO 1,5-A]IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2002-07-03 EP disclosed
WO-2001019783-A1 SYNTHESIS OF [3,5,7]-1H-IMIDAZO[1,5-A]IMIDAZOL-2(3H)-ONE COMPOUNDS TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2001-03-22 WO disclosed
EP-0722436-A4 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS UNIV FLORIDA STATE (US) 1996-11-20 EP disclosed
EP-0722436-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1996-07-24 EP disclosed
US-5455262-A Treating arthritis, tumor metastasis, periodontal disease, corneal ulceration, bone resorption diseases, glomerular diseases FLORIDA STATE UNIVERSITY (US) 1995-10-03 US disclosed
WO-1995009833-A1 MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS FLORIDA STATE UNIVERSITY (US) 1995-04-13 WO disclosed