SCHEMBL11041875

SCHEMBL11041875

[CH2]C(=O)c1cc(O)c(O)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.59
LMNA P02545 3/20 0.59
TDP1 Q9NUW8 3/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
FUT7 Q11130 2/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
TP53 P04637 1/20 0.59
CA3 P07451 1/20 0.59
SELL P14151 1/20 0.59
HPGD P15428 1/20 0.59
SELP P16109 1/20 0.59
FUT4 P22083 1/20 0.59
CA4 P22748 1/20 0.59
CA6 P23280 1/20 0.59
DPP4 P27487 1/20 0.59
MAPK1 P28482 1/20 0.59
CA5A P35218 1/20 0.59

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
SCHEMBL2139 0.78 KDM4E (0.59) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL8731833 0.77 TTR (0.61) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL352369 0.77 KDM4E (0.65) KDM4ELMNATDP1ALDH1A1MAPT
Gallic Acid SCHEMBL5421738 0.76 CA12 (0.90) KDM4ELMNATDP1ALDH1A1MAPT
Gallic Acid SCHEMBL28279123 0.76 CA12 (0.90) KDM4ELMNATDP1ALDH1A1MAPT
Water SCHEMBL1637239 0.76 KDM4E (0.56) KDM4ELMNATDP1ALDH1A1MAPT
SCHEMBL407763 0.74 KDM4E (0.62) KDM4ELMNATDP1ALDH1A1MAPT
Gallic Acid SCHEMBL8088102 0.74 CA12 (1.00) KDM4ELMNATDP1ALDH1A1MAPT
Gallic Acid SCHEMBL1845406 0.74 CA12 (1.00) KDM4ELMNATDP1ALDH1A1MAPT
Gallic Acid SCHEMBL678990 0.74 CA12 (1.00) KDM4ELMNATDP1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487772-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO. LTD. (JP) 1984-12-11 US disclosed
US-4468402-A Carbostyril derivatives, process for producing the same and cardiotonic compositions containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-08-28 US disclosed
US-4454130-A CARDIOTONIC, HYPOTENSIVE AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-06-12 US disclosed