SCHEMBL9505995

SCHEMBL9505995

O=C(O)c1c(C(=O)O)c(C(=O)O)c2ccccc2c1C(=O)O.O=C(O)c1ccc(C(=O)O)c2c(C(=O)O)ccc(C(=O)O)c12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.61
WDR5 P61964 1/20 0.48
ALDH1A1 P00352 2/20 0.48
ALOX15 P16050 1/20 0.48
LDHA P00338 1/20 0.47
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 3/20 0.47
HPGD P15428 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
MEN1 O00255 1/20 0.47
GLA P06280 1/20 0.47
CYP2C19 P33261 1/20 0.47
KMT2A Q03164 1/20 0.47
CDC25B P30305 3/20 0.46
TDP1 Q9NUW8 1/20 0.44
AKR1C3 P42330 1/20 0.43
PARP1 P09874 1/20 0.43
THRB P10828 1/20 0.42

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
SCHEMBL54422 0.86 KDM4E (0.58) CYP1A2WDR5ALDH1A1ALOX15LDHA
SCHEMBL28383554 0.84 KDM4E (0.56) CYP1A2WDR5ALDH1A1ALOX15LDHA
SCHEMBL31386574 0.84 KDM4E (0.56) CYP1A2WDR5ALDH1A1ALOX15LDHA
SCHEMBL31441237 0.84 KDM4E (0.56) CYP1A2WDR5ALDH1A1ALOX15LDHA
Hydrochloric Acid SCHEMBL16014117 0.84 KDM4E (0.56) CYP1A2WDR5ALDH1A1ALOX15LDHA
SCHEMBL16616351 0.84 KDM4E (0.56) CYP1A2WDR5ALDH1A1ALOX15LDHA
SCHEMBL9565161 0.82 CYP1A2 (0.67) CYP1A2WDR5ALDH1A1ALOX15LDHA
SCHEMBL20873404 0.82 WDR5 (0.44) CYP1A2WDR5ALDH1A1ALOX15LDHA
SCHEMBL31401751 0.81 NR4A1 (0.50) CYP1A2ALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL471836 0.81 NR4A1 (0.50) CYP1A2ALDH1A1ALOX15KDM4EHSD17B10

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-0263705-B1 THE USE OF THERMOPLASTIC POLYESTER RESIN COMPOSITION FOR UV-SCREENING MITSUBISHI KASEI CORPORATION (JP) 1993-06-30 EP claimed