SCHEMBL9540546

SCHEMBL9540546

COCCN(C)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.62
MEN1 O00255 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ALDH1A1 P00352 4/20 0.60
KDM4E B2RXH2 1/20 0.60
POLB P06746 1/20 0.60
GAA P10253 1/20 0.60
HPGD P15428 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
PGR P06401 2/20 0.43
SLC6A2 P23975 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 2/20 0.43
ADORA3 P0DMS8 1/20 0.43
AR P10275 1/20 0.43
CHRM1 P11229 1/20 0.43
ALOX15 P16050 1/20 0.43
TBXA2R P21731 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
SCHEMBL9629674 0.86 ALDH1A1 (0.71) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11119496 0.84 ALDH1A1 (0.80) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL9618590 0.83 KMT2A (0.78) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11078373 0.83 ALDH1A1 (0.74) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11087979 0.82 ALDH1A1 (0.72) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL1514371 0.81 MEN1 (0.59) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL29570529 0.80 KMT2A (0.72) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6205557 0.80 KMT2A (0.72) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8311620 0.80 KMT2A (0.64) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL10794245 0.78 MEN1 (0.56) KMT2AMEN1SMN1; SMN2L3MBTL1ALDH1A1

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
JP-5043526-A None JP disclosed
JP-H0543526-A BENZOIC ACID DERIVATIVE MITSUI TOATSU CHEM INC 1993-02-23 JP disclosed