SCHEMBL7585198

SCHEMBL7585198

O=C(O)C(=Cc1ccc(O)c(O)c1)C(=O)C=Cc1ccc(O)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.62
KDM4E B2RXH2 2/20 0.62
MAPT P10636 2/20 0.62
TTR P02766 2/20 0.62
APP P05067 2/20 0.62
MMP1 P03956 2/20 0.62
MMP2 P08253 2/20 0.62
MMP9 P14780 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
MEN1 O00255 1/20 0.62
HDAC3 O15379 1/20 0.62
CA12 O43570 1/20 0.62
AKR1B10 O60218 1/20 0.62
ALDH1A1 P00352 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
LMNA P02545 1/20 0.62
GLA P06280 1/20 0.62
POLB P06746 1/20 0.62
CA3 P07451 1/20 0.62

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
SCHEMBL6380450 0.84 EGFR (0.61) HSD17B10KDM4EMAPTTTRAPP
SCHEMBL15082748 0.84 EGFR (0.61) HSD17B10KDM4EMAPTTTRAPP
SCHEMBL31110546 0.84 GLO1 (0.67) KDM4EAPPCA12CA1CA2
SCHEMBL7581752 0.83 GLO1 (0.69) KDM4EMAPTAPPTDP1MEN1
SCHEMBL30497483 0.83 GLO1 (0.87) HSD17B10KDM4EMAPTAPPMMP9
SCHEMBL7585369 0.83 GLO1 (0.87) HSD17B10KDM4EMAPTAPPMMP9
SCHEMBL6535158 0.80 TTR (0.66) HSD17B10KDM4EMAPTTTRAPP
SCHEMBL16670788 0.79 MMP1 (0.52) KDM4EMMP1MMP2MMP9AKR1B10
SCHEMBL7584015 0.78 TYR (0.58) KDM4EMAPTMMP1MMP2MMP9
SCHEMBL31452785 0.78 MAPT (0.57) HSD17B10KDM4EMAPTTTRAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4124724-A Crystalline caffeic acid derivatives and compositions and method for treating snakebite AGORO JOHN W 1978-11-07 US claimed
CN-1279053-C Modulators for beta-amyloid peptide aggregation comprising D-amino acids PRAECIS PHARM INC (US) 2006-10-11 CN disclosed
WO-2000052048-A9 MODULATORS OF BETA-AMYLOID PEPTIDE AGGREGATION COMPRISING D-AMINO ACIDS PRAECIS PHARM INC (US) 2002-04-11 WO disclosed
US-4124724-A Crystalline caffeic acid derivatives and compositions and method for treating snakebite AGORO JOHN W 1978-11-07 US disclosed