SCHEMBL4622624

SCHEMBL4622624

CCCCOC(=O)/C=C/c1cc2ccccc2c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.51
MAOB P27338 1/20 0.49
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
AKR1B10 O60218 1/20 0.43
AKR1B1 P15121 1/20 0.43
ABCB1 P08183 3/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ABCG2 Q9UNQ0 2/20 0.42

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
SCHEMBL4622626 1.00 APP (0.51) APPMAOBATMKDM4EALDH1A1
SCHEMBL6794103 0.84 EGFR (0.53) APPATMKDM4EALDH1A1TDP1
SCHEMBL6794099 0.84 EGFR (0.53) APPATMKDM4EALDH1A1TDP1
SCHEMBL28989630 0.84 APP (0.50) APPATMKDM4EALDH1A1HCAR2
SCHEMBL3940917 0.77 APP (0.60) APPATMKDM4EALDH1A1HCAR2
SCHEMBL11834908 0.77 APP (0.60) APPATMKDM4EALDH1A1HCAR2
SCHEMBL18843944 0.77 ATM (0.54) APPATMKDM4EALDH1A1HCAR2
SCHEMBL19244396 0.77 KDM4E (0.61) APPATMKDM4EALDH1A1HCAR2
SCHEMBL8930462 0.77 ATM (0.54) APPATMKDM4EALDH1A1HCAR2
SCHEMBL3940920 0.77 APP (0.60) APPATMKDM4EALDH1A1HCAR2

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-1368287-B1 PROCESS FOR A HOMOGENEOUSLY CATALYZED C-C COUPLING REACTION DSM IP ASSETS BV (NL) 2008-03-26 EP disclosed