SCHEMBL8802154

SCHEMBL8802154

CC(=O)Oc1ccc2c(C(C)=O)c(Cc3ccccc3)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
GLA P06280 1/20 0.53
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDGFRB P09619 1/20 0.41

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
SCHEMBL8801521 0.85 KDM4E (0.51) KDM4EGAAGLAMTNR1AMTNR1B
SCHEMBL6768454 0.80 MTNR1A (0.59) KDM4EMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL8801813 0.80 KDM4E (0.47) KDM4EMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL8801366 0.74 CA2 (0.52) KDM4EGAAGLAMTNR1AMTNR1B
SCHEMBL1180269 0.74 KDM4E (0.61) KDM4EGAAGLAMTNR1AMTNR1B
SCHEMBL7426912 0.73 MTNR1A (0.46) KDM4EGAAMTNR1AMTNR1BMAPT
SCHEMBL531085 0.71 ELANE (0.61) GAAMAPTMAPK1ALDH1A1KMT2A
SCHEMBL17422716 0.71 ALOX5 (0.46) KDM4EMTNR1AMTNR1BMAPTALDH1A1
SCHEMBL7055922 0.71 TUBB1 (0.55) KDM4EGAAMTNR1AMTNR1BMAPK1
SCHEMBL12986903 0.70 KDM4E (1.00) KDM4EGAAGLAALDH1A1PKM

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-0804416-A1 HETEROCYCLIC COMPOUNDS, USEFUL AS ALLOSTERIC EFFECTORS AT MUSCARINIC RECEPTORS SANKYO COMPANY LIMITED (JP) 1997-11-05 EP disclosed