SCHEMBL6570619

SCHEMBL6570619

O=C(O)c1cc2cccc3c4c(C(=O)O)ccc5c(C(=O)O)c(C(=O)O)cc(c(c1)c23)c54

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
PTPN1 P18031 1/20 0.46
HSD17B10 Q99714 4/20 0.37
CYP1A2 P05177 3/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
GLA P06280 2/20 0.37
HPGD P15428 2/20 0.37
NR4A1 P22736 1/20 0.37
NR4A2 P43354 1/20 0.37
NR4A3 Q92570 1/20 0.37
CYP2C19 P33261 1/20 0.37
CDC25B P30305 2/20 0.37
WDR5 P61964 1/20 0.36
LDHA P00338 1/20 0.35
PLA2G2D Q9UNK4 1/20 0.35
ACE2 Q9BYF1 2/20 0.33
POLB P06746 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33

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
Benzimidazole SCHEMBL4829679 0.85 CTNNB1 (0.36) KMT2AMEN1PTPN1KDM4EALDH1A1
SCHEMBL29054769 0.81 HSD17B10 (0.44) KMT2AMEN1PTPN1HSD17B10CYP1A2
SCHEMBL436827 0.80 CYP1A2 (0.47) KMT2AMEN1PTPN1HSD17B10CYP1A2
SCHEMBL28774731 0.79 PTPN1 (0.44) KMT2AMEN1PTPN1HSD17B10CYP1A2
SCHEMBL28384030 0.78 MEN1 (0.49) KMT2AMEN1PTPN1HSD17B10CYP1A2
SCHEMBL10012128 0.78 MEN1 (0.68) KMT2AMEN1PTPN1HSD17B10CYP1A2
SCHEMBL26910307 0.77 MEN1 (0.43) KMT2AMEN1PTPN1HSD17B10CYP1A2
SCHEMBL9135098 0.76 MEN1 (0.42) KMT2AMEN1PTPN1HSD17B10CYP1A2
SCHEMBL16868408 0.76 MEN1 (0.53) KMT2AMEN1PTPN1HSD17B10CYP1A2
SCHEMBL4412297 0.76 CYP1A2 (0.42) KMT2AMEN1PTPN1HSD17B10CYP1A2

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
WO-2004053586-A1 LIQUID CRYSTAL SHUTTER OPTIVA, INC. (US) 2004-06-24 WO disclosed
US-20040036821-A1 Liquid crystal shutter OPTIVA, INC. 2004-02-26 US disclosed