SCHEMBL11423923

SCHEMBL11423923

COc1ccc2cc(NC=C(C(=O)O)C(=O)O)c(=O)oc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 1/20 0.57
ALDH1A1 P00352 7/20 0.54
HPGD P15428 6/20 0.54
GAA P10253 5/20 0.54
MAOB P27338 3/20 0.54
KDM4E B2RXH2 7/20 0.54
GLA P06280 5/20 0.54
HSD17B10 Q99714 4/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ACHE P22303 1/20 0.50
CASP1 P29466 1/20 0.50
CASP7 P55210 1/20 0.50
CA12 O43570 3/20 0.49
CA9 Q16790 3/20 0.49
CA2 P00918 2/20 0.49
CA3 P07451 2/20 0.49

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
SCHEMBL11429014 0.90 MAPT (0.60) ALDH1A1HPGDGAAMAOBKDM4E
SCHEMBL11425574 0.85 KDM4E (0.61) SLC16A3ALDH1A1HPGDGAAMAOB
SCHEMBL30488625 0.82 GLA (0.62) SLC16A3ALDH1A1HPGDGAAMAOB
SCHEMBL11402546 0.81 SLC16A3 (0.61) SLC16A3ALDH1A1HPGDGAAMAOB
SCHEMBL3100581 0.81 SLC16A3 (0.64) SLC16A3ALDH1A1HPGDGAAMAOB
SCHEMBL11395960 0.79 ALDH1A1 (0.61) SLC16A3ALDH1A1HPGDGAAMAOB
SCHEMBL11396698 0.78 ALDH1A1 (0.78) SLC16A3ALDH1A1HPGDGAAMAOB
SCHEMBL11494798 0.76 MAOB (0.61) ALDH1A1HPGDGAAMAOBKDM4E
SCHEMBL11416012 0.75 CA12 (0.58) ALDH1A1HPGDKDM4EHSD17B10NPC1
SCHEMBL11612554 0.75 PTGS2 (0.52) ALDH1A1HPGDMAOBKDM4ENPC1

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