SCHEMBL11429014

SCHEMBL11429014

COc1ccc2oc(=O)c(NC=C(C(=O)O)C(=O)O)cc2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.60
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 4/20 0.57
HPGD P15428 2/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA3 P07451 1/20 0.57
CA6 P23280 1/20 0.57
CA5A P35218 1/20 0.57
CA7 P43166 1/20 0.57
CA9 Q16790 1/20 0.57
CA14 Q9ULX7 1/20 0.57
CA5B Q9Y2D0 1/20 0.57
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
RECQL P46063 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GAA P10253 2/20 0.54

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
SCHEMBL11423923 0.90 SLC16A3 (0.57) MAPTKDM4EALDH1A1HPGDCA12
SCHEMBL11494798 0.85 MAOB (0.61) MAPTKDM4EALDH1A1HPGDCA12
SCHEMBL11402397 0.81 MAPT (0.67) MAPTKDM4EALDH1A1HPGDCA12
SCHEMBL11396182 0.79 MAPT (0.63) MAPTKDM4EALDH1A1HPGDCA12
SCHEMBL11485323 0.79 MAPT (0.60) MAPTKDM4EALDH1A1HPGDCA12
SCHEMBL11485319 0.79 MAPT (0.60) MAPTKDM4EALDH1A1HPGDCA12
SCHEMBL11397132 0.78 MAPT (0.70) MAPTKDM4EALDH1A1HPGDCA12
SCHEMBL11425574 0.76 KDM4E (0.61) MAPTKDM4EALDH1A1HPGDCA12
SCHEMBL11416012 0.75 CA12 (0.58) MAPTKDM4EALDH1A1HPGDCA12
SCHEMBL29963204 0.73 KDM4E (1.00) MAPTKDM4EALDH1A1HPGDCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4210758-A 1,5-Dihydro-1,5-dioxo-N-1H-tetrazol-5-yl-4H-[1]benzopyrano[3,4-b]pyridine-2-carboxamides WARNER-LAMBERT COMPANY (US) 1980-07-01 US disclosed