SCHEMBL17200968

SCHEMBL17200968

O=C(O)c1c(C(=O)O)c(C(=O)O)c2ccccc2c1C(=O)O.O=C(O)c1c(C(=O)O)c2ccc3cccc4ccc(c1C(=O)O)c2c34

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.50
ALDH1A1 P00352 6/20 0.50
HSD17B10 Q99714 6/20 0.50
KMT2A Q03164 5/20 0.50
CYP1A2 P05177 5/20 0.50
KDM4E B2RXH2 5/20 0.50
MEN1 O00255 4/20 0.50
GLA P06280 2/20 0.50
CYP2C19 P33261 1/20 0.50
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
CDC25B P30305 1/20 0.44
ERBB2 P04626 1/20 0.44
FYN P06241 1/20 0.44
MAOA P21397 1/20 0.44
ACHE P22303 1/20 0.44
AHR P35869 1/20 0.44
THRB P10828 1/20 0.43
WDR5 P61964 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
SCHEMBL275486 0.94 KMT2A (0.53) HPGDALDH1A1HSD17B10KMT2ACYP1A2
SCHEMBL27880221 0.86 MEN1 (0.55) HPGDALDH1A1HSD17B10KMT2ACYP1A2
SCHEMBL7101315 0.85 ALDH1A1 (0.52) HPGDALDH1A1HSD17B10KMT2ACYP1A2
SCHEMBL7813457 0.83 HPGD (0.52) HPGDALDH1A1HSD17B10KMT2ACYP1A2
SCHEMBL6003225 0.83 HPGD (0.52) HPGDALDH1A1HSD17B10KMT2ACYP1A2
SCHEMBL9170208 0.82 CA12 (0.52) HPGDALDH1A1HSD17B10KMT2ACYP1A2
SCHEMBL4949003 0.81 KMT2A (0.46) HPGDALDH1A1HSD17B10KMT2ACYP1A2
SCHEMBL548398 0.81 ALDH1A1 (0.48) HPGDALDH1A1HSD17B10KMT2ACYP1A2
SCHEMBL54422 0.79 KDM4E (0.58) HPGDALDH1A1HSD17B10KMT2ACYP1A2
SCHEMBL275150 0.78 KMT2A (0.50) HPGDALDH1A1HSD17B10KMT2ACYP1A2

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
US-20150309433-A1 ELECTROSTATIC CHARGE IMAGE DEVELOPING TONER Konica Minolta, Inc. (JP) 2015-10-29 US disclosed