SCHEMBL16601626

SCHEMBL16601626

C=C(I)C(=O)OCCOC(=O)Cc1cc(=O)oc2cc(O)ccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 3/20 0.62
GAA P10253 2/20 0.62
GLA P06280 2/20 0.62
LCK P06239 1/20 0.57
FYN P06241 1/20 0.57
AKR1B1 P15121 1/20 0.57
GRB2 P62993 1/20 0.57
HSD17B3 P37058 11/20 0.51
ERAP1 Q9NZ08 1/20 0.49
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL10313774 0.89 KDM4E (0.65) KDM4EALDH1A1GAAGLALCK
SCHEMBL4209634 0.80 KDM4E (0.76) KDM4EALDH1A1GAAGLALCK
SCHEMBL10314004 0.80 KDM4E (0.65) KDM4EALDH1A1GAAGLAHPGD
SCHEMBL10313775 0.78 KDM4E (0.63) KDM4EALDH1A1GAAGLALCK
SCHEMBL533173 0.77 ALDH1A1 (1.00) KDM4EALDH1A1GAAGLALCK
SCHEMBL219274 0.77 KDM4E (0.67) KDM4EALDH1A1GAAGLALCK
SCHEMBL10313777 0.76 KDM4E (0.59) KDM4EALDH1A1GAAGLALCK
SCHEMBL27777982 0.75 HSD17B3 (0.60) KDM4EALDH1A1GAAGLALCK
SCHEMBL12729968 0.75 AKR1B1 (0.76) KDM4EALDH1A1GAAGLALCK
SCHEMBL723839 0.75 LCK (0.76) KDM4EALDH1A1GAAGLALCK

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-20150253245-A1 FLUORESCENT POLYMERS OF 7-HYDROXYCOUMARIN COMPOUNDS, CHEMICAL SENSORS COMPRISING THEM, AND POLYMERIZABLE FLUORESCENT COMPOUND OF 7-HYDROXYCOUMARIN Commissariat a l'énergie atomique et aux énergies alternatives (FR) 2015-09-10 US disclosed
US-8993700-B2 Fluorescent polymers of 7-hydroxycoumarin compounds, chemical sensors comprising them, and polymerizable fluorescent compound of 7-hydroxycoumarin COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2015-03-31 US disclosed