SCHEMBL632019

SCHEMBL632019

Oc1ccc(-c2ccc3ccccc3c2)c(O)c1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 12/20 0.72
ESR1 P03372 11/20 0.64
CYP1A2 P05177 2/20 0.61
ALOX5 P09917 2/20 0.61
HSD17B1 P14061 2/20 0.60
HSD17B2 P37059 2/20 0.60
MIF P14174 1/20 0.55
GSTP1 P09211 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2B6 P20813 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL31419103 0.90 ESR2 (0.74) ESR2ESR1CYP1A2ALOX5HSD17B1
SCHEMBL28819464 0.90 ESR2 (0.74) ESR2ESR1CYP1A2ALOX5HSD17B1
SCHEMBL29666588 0.90 ESR2 (0.74) ESR2ESR1CYP1A2ALOX5HSD17B1
SCHEMBL9456813 0.86 ESR2 (0.70) ESR2ESR1CYP1A2ALOX5HSD17B1
SCHEMBL599502 0.85 ESR2 (0.68) ESR2ESR1CYP1A2ALOX5HSD17B1
SCHEMBL3016027 0.84 ESR2 (1.00) ESR2ESR1CYP1A2ALOX5HSD17B1
SCHEMBL6419636 0.84 ESR2 (0.55) ESR2ESR1CYP1A2ALOX5HSD17B1
SCHEMBL30463004 0.83 ESR2 (0.78) ESR2ESR1CYP1A2ALOX5HSD17B1
SCHEMBL217638 0.83 ESR2 (0.78) ESR2ESR1CYP1A2ALOX5HSD17B1
SCHEMBL3107306 0.83 ESR2 (0.83) ESR2ESR1CYP1A2ALOX5HSD17B1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441011-B1 Energy transfer dye containing an aromatic-substituted xanthene dye as donor dye and/or acceptor dye LIFE TECHNOLOGIES CORP (US) 2012-02-22 EP disclosed
EP-1441011-B1 Energy transfer dye containing an aromatic-substituted xanthene dye as donor dye and/or acceptor dye LIFE TECHNOLOGIES CORP (US) 2012-02-22 EP disclosed
EP-1441011-A1 Energy transfer dye containing an aromatic-substituted xanthene dye as donor dye and/or acceptor dye Applera Corporation (US) 2004-07-28 EP disclosed
EP-1019453-B1 AROMATIC-SUBSTITUTED XANTHENE DYES APPLERA CORP (US) 2004-03-31 EP disclosed
EP-1019453-A1 AROMATIC-SUBSTITUTED XANTHENE DYES THE PERKIN-ELMER CORPORATION (US) 2000-07-19 EP disclosed
US-6008379-A USEFUL AS FLUORESCENT DYES FOR LABELING THE PERKIN-ELMER CORPORATION (US) 1999-12-28 US disclosed
WO-1999016832-A1 AROMATIC-SUBSTITUTED XANTHENE DYES THE PERKIN-ELMER CORPORATION (US) 1999-04-08 WO disclosed