SCHEMBL7967446

SCHEMBL7967446

O=C1C=c2oc3cc(O)ccc3c(=O)c2=CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.48
ESR2 Q92731 1/20 0.46
KDM4E B2RXH2 8/20 0.44
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 6/20 0.44
KMT2A Q03164 5/20 0.44
HPGD P15428 5/20 0.44
CASP1 P29466 5/20 0.44
CASP7 P55210 5/20 0.44
MAPT P10636 4/20 0.44
MEN1 O00255 4/20 0.44
CYP3A4 P08684 3/20 0.44
CYP2C9 P11712 3/20 0.44
TP53 P04637 2/20 0.44
MAPK1 P28482 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALOX15 P16050 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 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
SCHEMBL30468736 0.72 MAOA (0.81) MAOAESR2KDM4EALDH1A1HSD17B10
SCHEMBL1983479 0.72 MAOA (0.81) MAOAESR2KDM4EALDH1A1HSD17B10
SCHEMBL9844877 0.69 KDM4E (0.42) MAOAKDM4EALDH1A1HSD17B10KMT2A
SCHEMBL31423805 0.66 MAOA (0.77) MAOAESR2KDM4EALDH1A1HSD17B10
SCHEMBL7337235 0.66 MAOA (0.77) MAOAESR2KDM4EALDH1A1HSD17B10
SCHEMBL7228411 0.66 ESR2 (0.83) MAOAESR2KDM4EALDH1A1HSD17B10
SCHEMBL2299504 0.65 MAOA (1.00) MAOAESR2KDM4EALDH1A1HSD17B10
SCHEMBL7058539 0.65 ESR2 (0.73) MAOAESR2KDM4EALDH1A1HSD17B10
SCHEMBL29715739 0.65 MAOA (1.00) MAOAESR2KDM4EALDH1A1HSD17B10
SCHEMBL21327415 0.64 MAOA (0.67) MAOAESR2KDM4EALDH1A1HSD17B10

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
US-6229024-B1 WATER SOLUBLE TRIBASIC SALT OF MIXTURE OF 5-CARBOXYFLUORESCEIN AND 6-CARBOXYFLUORESCEIN, AND WATER SOLUBLE TETRABASIC SALT OF 5,6 DICARBOXYFLUORESCEIN SCHMUED LAURENCE C (US) 2001-05-08 US claimed
US-6229024-B1 WATER SOLUBLE TRIBASIC SALT OF MIXTURE OF 5-CARBOXYFLUORESCEIN AND 6-CARBOXYFLUORESCEIN, AND WATER SOLUBLE TETRABASIC SALT OF 5,6 DICARBOXYFLUORESCEIN SCHMUED LAURENCE C (US) 2001-05-08 US disclosed