SCHEMBL11612554

SCHEMBL11612554

COc1ccc2c(=O)c(NC=C(C(=O)O)C(=O)O)coc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.52
NPC1 O15118 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 2/20 0.51
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
CYP3A4 P08684 1/20 0.51
HPGD P15428 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAOB P27338 9/20 0.50
MAOA P21397 8/20 0.50
XDH P47989 1/20 0.49
POLB P06746 1/20 0.47
APOBEC3A P31941 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL11567039 0.81 MAPT (0.54) PTGS2NPC1MAPTRAB9AKDM4E
SCHEMBL11732182 0.79 PTGS2 (0.50) PTGS2NPC1MAPTRAB9AKDM4E
SCHEMBL11732178 0.79 PTGS2 (0.50) PTGS2NPC1MAPTRAB9AKDM4E
SCHEMBL11612561 0.78 MAOB (0.53) PTGS2KMT2AALDH1A1MAOBMAOA
SCHEMBL11567038 0.78 PTGS2 (0.54) PTGS2NPC1MAPTRAB9AKDM4E
SCHEMBL11423923 0.75 SLC16A3 (0.57) NPC1MAPTRAB9AKDM4EKMT2A
SCHEMBL11617172 0.74 PTPN1 (0.50) MAPTKMT2AMEN1ALDH1A1MAOB
SCHEMBL11508405 0.74 ALDH1A1 (0.60) PTGS2NPC1MAPTRAB9AKDM4E
SCHEMBL11724240 0.74 PTGS2 (0.49) PTGS2NPC1MAPTRAB9AKDM4E
SCHEMBL11724227 0.74 PTGS2 (0.49) PTGS2NPC1MAPTRAB9AKDM4E

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-4066655-A 4,10-Dihydro-4,10-dioxo-1H-1-benzopyrano[3,2-b]pyridine-3-carboxylic acids, salts and esters WARNER-LAMBERT COMPANY (US) 1978-01-03 US disclosed