SCHEMBL7783261

SCHEMBL7783261

CCCCC1(CCCC)Oc2ccccc2C(=O)N1C(=O)CC

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.40
KDM4E B2RXH2 2/20 0.37
HTT P42858 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ASAH1 Q13510 1/20 0.36
CDC25A P30304 9/20 0.35
PKM P14618 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.33
ALDH2 P05091 1/20 0.33
ALDH3A1 P30838 1/20 0.33
ELANE P08246 1/20 0.33

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
SCHEMBL8624515 0.86 CES1 (0.43) CES1KDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL8624518 0.81 CES1 (0.43) CES1KDM4EHTTSMN1; SMN2ASAH1
SCHEMBL8625977 0.76 KDM4E (0.40) CES1KDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL8626816 0.75 ALDH1A1 (0.41) CES1KDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL8623432 0.75 CES1 (0.39) CES1KDM4EHTTSMN1; SMN2POLB
SCHEMBL6959879 0.75 ALDH1A1 (0.41) CES1KDM4EHTTSMN1; SMN2ALDH1A1
SCHEMBL14414191 0.74 KMT2A (0.35) CES1KDM4EHTTASAH1ALDH1A1
SCHEMBL8623299 0.74 CES1 (0.38) CES1KDM4EHTTSMN1; SMN2POLB
SCHEMBL7783218 0.65 KDM4E (0.35) KDM4EHTTPKMPOLBALDH1A1
SCHEMBL7512827 0.65 ALDH1A1 (0.47) KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7097381-A None JP disclosed
EP-0635488-B1 Novel process for preparing azetidinone compound and novel starting compound therefor TANABE SEIYAKU CO (JP) 2001-09-26 EP disclosed
US-5703234-A CHEMICAL INTERMEDIATE FOR 1-METHYLCARBAPENEM ANTIBIOTICS TANABE SEIYAKU CO., LTD. (JP) 1997-12-30 US disclosed
US-5550229-A REACTING SPECIFIED ALKANAMIDE WITH SUBSTITUTED AZETIDINONE IN PRESENCE OF BASE TANABE SEIYAKU CO., LTD. (JP) 1996-08-27 US disclosed
JP-H0797381-A NEW PRODUCTION METHOD OF AZETIDINONE COMPOUND AND NEW RAW MATERIAL COMPOUND THEREFOR TANABE SEIYAKU CO LTD 1995-04-11 JP disclosed
EP-0635488-A2 Novel process for preparing azetidinone compound and novel starting compound therefor TANABE SEIYAKU CO., LTD. (JP) 1995-01-25 EP disclosed