SCHEMBL19143003

SCHEMBL19143003

CCN(C)c1cccc(OC(=O)c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.50
ALDH1A1 P00352 2/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
MEN1 O00255 1/20 0.49
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43

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
SCHEMBL1546374 0.87 KMT2A (0.58) KMT2AALDH1A1PKMMAPTTDP1
SCHEMBL27858953 0.85 BCHE (0.62) KMT2AALDH1A1PKMMAPTTDP1
SCHEMBL25482354 0.81 ACHE (0.55) KMT2AMEN1BCHEACHE
SCHEMBL1785471 0.78 KMT2A (0.69) KMT2AALDH1A1PKMMAPTTDP1
SCHEMBL29995417 0.77 KMT2A (0.56) KMT2AALDH1A1PKMMAPTTDP1
SCHEMBL9511333 0.77 KMT2A (0.56) KMT2AALDH1A1PKMMAPTTDP1
SCHEMBL1574123 0.77 PPARA (0.50) KMT2AALDH1A1TDP1ESR1ESR2
SCHEMBL17275021 0.76 KMT2A (0.56) KMT2AALDH1A1MAPTTDP1MEN1
SCHEMBL12341608 0.76 LMNA (0.62) KMT2AALDH1A1MAPTTDP1MEN1
SCHEMBL27628084 0.76 KMT2A (0.54) KMT2AALDH1A1PKMMAPTTDP1

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-1868984-B1 BENZOIC ACID ESTER COMPOUNDS, COMPOSITIONS, USES AND METHODS RELATED THERETO FERRER INT (ES) 2017-07-19 EP disclosed