SCHEMBL8970918

SCHEMBL8970918

COc1cc(COc2cc(NC(C)=O)c(Cl)cc2CC(=O)CCCCl)cc(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 3/20 0.43
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
ENPP2 Q13822 1/20 0.39
AGER Q15109 1/20 0.38
BRD4 O60885 2/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 2/20 0.37
CYP3A4 P08684 1/20 0.37
MTNR1A P48039 3/20 0.36
FGFR4 P22455 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL8970849 0.91 KDM4E (0.50) MTNR1BKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL8971982 0.86 SMN1; SMN2 (0.41) MTNR1BKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL8971117 0.86 AGER (0.47) KDM4EALDH1A1AGERLMNAPOLB
SCHEMBL8971536 0.83 MGAT2 (0.44) MTNR1BKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL7348962 0.81 ALDH1A1 (0.45) MTNR1BKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL8970733 0.79 AGER (0.43) KDM4EALDH1A1AGERLMNAPOLB
SCHEMBL8971265 0.79 SMN1; SMN2 (0.42) ALDH1A1AGERLMNAKMT2AMAPT
SCHEMBL8971050 0.76 PGK1 (0.39) KDM4EALDH1A1AGERLMNAPOLB
SCHEMBL7352264 0.73 KDM4E (0.52) MTNR1BKDM4EALDH1A1CYP1A2CYP2C9
SCHEMBL8601552 0.71 KDM4E (0.39) MTNR1BKDM4EALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700383-A1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1996-03-13 EP disclosed