SCHEMBL7360048

SCHEMBL7360048

O=C1CC(Oc2ccccc2)N1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.50
DDB1 Q16531 1/20 0.47
CRBN Q96SW2 1/20 0.47
HRH1 P35367 1/20 0.42
SLC6A4 P31645 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
GAA P10253 1/20 0.40
BRD4 O60885 4/20 0.39
CREBBP Q92793 4/20 0.39
EP300 Q09472 1/20 0.39
CTSV O60911 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
CTSC P53634 1/20 0.35
CTSF Q9UBX1 1/20 0.35

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
SCHEMBL9559119 0.80 DDB1 (0.38) ALOX5DDB1CRBNHRH1BRD4
SCHEMBL8552429 0.80 GAA (0.45) DDB1CRBNGAABRD4CREBBP
SCHEMBL8553781 0.80 SLC6A4 (0.43) ALOX5SLC6A4SLC6A2SLC6A3
SCHEMBL8814238 0.76 SMN1; SMN2 (0.37) DDB1CRBNGAA
SCHEMBL3931548 0.75 HRH1 (0.50) ALOX5DDB1CRBNHRH1SLC6A4
SCHEMBL29980530 0.74 HRH1 (0.55) ALOX5DDB1CRBNHRH1SLC6A4
SCHEMBL157619 0.71 BRD4 (0.50) DDB1CRBNGAABRD4CREBBP
SCHEMBL6247618 0.71 BRD4 (0.50) DDB1CRBNGAABRD4CREBBP
SCHEMBL9295153 0.71 BRD4 (0.50) DDB1CRBNGAABRD4CREBBP
SCHEMBL8809394 0.71 CREBBP (0.54) SLC6A4SLC6A2SLC6A3BRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0950046-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (CA) 1999-10-20 EP claimed
WO-1998012176-A1 3,4-DISUBSTITUTED AZETIDIN-2-ONE DERIVATIVES USEFUL AS CYSTEINE PROTEINASE REGULATORS SYNPHAR LABORATORIES INC. (US) 1998-03-26 WO claimed
WO-1999048911-A1 MONOBACTAM ENZYME INHIBITORS NAEJA PHARMACEUTICAL INC. (GB) 1999-09-30 WO disclosed
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed
WO-1997002242-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-01-23 WO disclosed