SCHEMBL7145045

SCHEMBL7145045

COc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1.COc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1.COc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1.[Tb+3]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.64
CA1 P00915 1/20 0.58
CA2 P00918 1/20 0.58
NPC1 O15118 2/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
ALDH1A1 P00352 2/20 0.52
TP53 P04637 1/20 0.52
CES2 O00748 2/20 0.51
CES1 P23141 2/20 0.51
MAPT P10636 3/20 0.50
RAB9A P51151 3/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
MAPK1 P28482 2/20 0.50
HPGD P15428 2/20 0.50
MEN1 O00255 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
CYP1A2 P05177 1/20 0.50
PGR P06401 1/20 0.50

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
SCHEMBL7145069 0.97 KMT2A (0.64) KMT2ACA1CA2NPC1SMN1; SMN2
SCHEMBL1375270 0.83 KMT2A (0.68) KMT2ACA1CA2NPC1SMN1; SMN2
SCHEMBL238088 0.83 KMT2A (0.68) KMT2ACA1CA2NPC1SMN1; SMN2
SCHEMBL747849 0.83 KMT2A (0.68) KMT2ACA1CA2NPC1SMN1; SMN2
SCHEMBL9712341 0.81 KMT2A (0.71) KMT2ANPC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL11842420 0.81 KMT2A (0.66) KMT2ACA1CA2NPC1SMN1; SMN2
SCHEMBL9851196 0.81 KMT2A (0.70) KMT2ACA1CA2NPC1SMN1; SMN2
P-Anisic Acid SCHEMBL3660840 0.80 CA1 (0.67) KMT2ACA1CA2SMN1; SMN2ALDH1A1
SCHEMBL1682193 0.79 STS (0.70) KMT2ANPC1SMN1; SMN2NPSR1ALDH1A1
SCHEMBL231448 0.79 KMT2A (0.68) KMT2ANPC1SMN1; SMN2NPSR1ALDH1A1

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-1090087-B1 LUMINESCENT DEVICE KONINKL PHILIPS ELECTRONICS NV (NL) 2003-08-13 EP disclosed