SCHEMBL28958576

SCHEMBL28958576

COc1cccc(C(=O)O)c1Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.62
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
USP2 O75604 1/20 0.56
PABPC1 P11940 1/20 0.56
AKR1C3 P42330 4/20 0.55
AKR1C2 P52895 4/20 0.55
CLCN2 P51788 2/20 0.54
KDM4E B2RXH2 3/20 0.50
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KCNMA1 Q12791 1/20 0.50
HIF1A Q16665 1/20 0.50
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
GAA P10253 1/20 0.48
TRPM4 Q8TD43 2/20 0.47
MAPT P10636 1/20 0.47
CCR2 P41597 1/20 0.47

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
SCHEMBL28965118 0.85 G6PD (0.55) GRIK1MEN1KMT2AAKR1C3AKR1C2
SCHEMBL30058623 0.85 G6PD (0.55) GRIK1MEN1KMT2AAKR1C3AKR1C2
SCHEMBL13271379 0.83 FABP3 (0.68) MEN1KMT2AAKR1C3AKR1C2CLCN2
SCHEMBL11605493 0.82 ACLY (0.54) GRIK1MEN1KMT2AUSP2PABPC1
SCHEMBL11301337 0.81 GRIK1 (0.60) GRIK1MEN1KMT2AUSP2PABPC1
SCHEMBL7568128 0.80 MEN1 (0.51) GRIK1MEN1KMT2AUSP2PABPC1
SCHEMBL1308706 0.79 KCNMA1 (0.74) GRIK1MEN1KMT2AUSP2KDM4E
SCHEMBL28404353 0.79 AKR1C3 (0.81) GRIK1MEN1KMT2AUSP2PABPC1
SCHEMBL1463298 0.76 GRIK1 (1.00) GRIK1MEN1KMT2AKDM4EGAA
SCHEMBL11113166 0.76 AKR1C3 (0.79) GRIK1MEN1KMT2AAKR1C3AKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115557890-B Polysubstituted acridone alkyl derivative and preparation method and application thereof 宁波大学 2024-06-25 CN disclosed
CN-115557890-A Polysubstituted acridone alkyl derivative and preparation method and application thereof 宁波大学 2023-01-03 CN disclosed