SCHEMBL4774099

SCHEMBL4774099

COc1ccc(C=CC(=O)c2ccc(OC)cc2F)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.74
KMT2A Q03164 6/20 0.74
LMNA P02545 5/20 0.74
HPGD P15428 4/20 0.74
ALDH1A1 P00352 3/20 0.74
GAA P10253 1/20 0.74
ALOX12 P18054 1/20 0.74
ABCG2 Q9UNQ0 8/20 0.72
MAPT P10636 6/20 0.72
MAPK1 P28482 3/20 0.72
CYP3A4 P08684 2/20 0.72
SMN1; SMN2 Q16637 2/20 0.72
APP P05067 1/20 0.72
CYP2C19 P33261 1/20 0.72
TNFRSF1A P19438 1/20 0.72
CTSL P07711 1/20 0.69
ALOX15 P16050 2/20 0.64
HSD17B10 Q99714 2/20 0.64
KDM4E B2RXH2 1/20 0.64
TDP1 Q9NUW8 1/20 0.64

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
P-Methoxy-Acetophenone SCHEMBL4774853 0.92 MEN1 (0.65) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL25205853 0.91 APP (0.75) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL25196696 0.87 MEN1 (0.63) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL25214779 0.86 MEN1 (1.00) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL25214812 0.86 MEN1 (1.00) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL9420980 0.85 MAPT (0.72) MEN1KMT2ALMNAALDH1A1ABCG2
SCHEMBL14692566 0.85 MAPT (0.72) MEN1KMT2ALMNAALDH1A1ABCG2
SCHEMBL363768 0.85 LMNA (0.63) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL5915595 0.84 MEN1 (0.59) MEN1KMT2ALMNAHPGDALDH1A1
SCHEMBL28497546 0.84 MEN1 (0.68) MEN1KMT2ALMNAHPGDALDH1A1

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-1889617-A1 Triphenyl modified 5-membered heterocycles and their use as anticancer and antiflammatory agents Freie Universität Berlin (DE) 2008-02-20 EP disclosed
WO-2008006626-A1 TRIPHENYL MODIFIED 5-MEMBERED HETEROCYCLES AND THEIR USE AS ANTICANCER AND ANTIINFLAMMATORY AGENTS FREIE UNIVERSITÄT BERLIN (DE) 2008-01-17 WO disclosed