SCHEMBL7783218

SCHEMBL7783218

CCCCC1(CCCC)[N]C(=O)c2ccccc2O1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KMT2A Q03164 4/20 0.34
MEN1 O00255 2/20 0.34
ELANE P08246 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 3/20 0.32
IDO1 P14902 2/20 0.32
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
GLA P06280 1/20 0.32
POLB P06746 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7783228 0.84 ALDH1A1 (0.34) KDM4ENPSR1KMT2AMEN1MAPT
SCHEMBL7784334 0.72 ALDH1A1 (0.37) KDM4EPKMTDP1MAPTIDO1
SCHEMBL7512827 0.70 ALDH1A1 (0.47) KDM4ECYP2C19CYP2C9NPSR1KMT2A
SCHEMBL7776411 0.68 MEN1 (0.35) KDM4EPKMNPSR1KMT2AMEN1
SCHEMBL28460053 0.66 SIGMAR1 (0.41) CYP2C19CYP2C9NPSR1KMT2AMEN1
SCHEMBL7207568 0.66 ATM (0.43) KDM4ECYP2C19CYP2C9NPSR1KMT2A
SCHEMBL7783261 0.65 CES1 (0.40) KDM4EPKMELANEALDH1A1HTT
SCHEMBL31628334 0.65 NPSR1 (0.51) PKMCYP2C19CYP2C9NPSR1KMT2A
SCHEMBL31217598 0.65 ALDH1A1 (0.37) CYP2C19CYP2C9NPSR1KMT2AMEN1
SCHEMBL12086603 0.65 ALDH1A1 (0.43) KDM4ECYP2C19CYP2C9NPSR1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0635488-B1 Novel process for preparing azetidinone compound and novel starting compound therefor TANABE SEIYAKU CO (JP) 2001-09-26 EP claimed
US-5550229-A REACTING SPECIFIED ALKANAMIDE WITH SUBSTITUTED AZETIDINONE IN PRESENCE OF BASE TANABE SEIYAKU CO., LTD. (JP) 1996-08-27 US claimed