SCHEMBL11301337

SCHEMBL11301337

COc1cc(Nc2cc(Cl)ccc2C(=O)O)c(C(=O)O)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.60
ALDH1A1 P00352 3/20 0.60
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
KDM4E B2RXH2 6/20 0.57
MAPT P10636 4/20 0.57
USP2 O75604 1/20 0.57
PABPC1 P11940 1/20 0.57
AKR1C3 P42330 3/20 0.57
AKR1C2 P52895 3/20 0.57
NPSR1 Q6W5P4 2/20 0.54
PKM P14618 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
RCE1 Q9Y256 1/20 0.51
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
GFER P55789 1/20 0.50
GAA P10253 1/20 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
SCHEMBL11603313 0.84 GRIK1 (0.62) GRIK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11113166 0.84 AKR1C3 (0.79) GRIK1MEN1KMT2AMAPTAKR1C3
SCHEMBL11604096 0.81 KDM4E (0.60) GRIK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL28958576 0.81 GRIK1 (0.62) GRIK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL21346876 0.80 GAK (0.60) ALDH1A1KDM4EMAPTUSP2SMN1; SMN2
SCHEMBL8390616 0.80 KDM4E (0.53) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4858020 0.79 GRIK1 (0.51) GRIK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11604086 0.78 CLCN2 (0.61) GRIK1ALDH1A1MEN1KMT2AKDM4E
SCHEMBL10834344 0.78 AKR1C3 (0.84) GRIK1MEN1KMT2AMAPTUSP2
SCHEMBL11606483 0.78 PPARG (0.64) GRIK1ALDH1A1MEN1KMT2AKDM4E

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
JP-57123152-A None JP disclosed
JP-S57123152-A NOVEL AMINOBENZOIC ACID DERIVATIVE AND DRUG COMPOSITION CHUGAI PHARMACEUT CO LTD 1982-07-31 JP disclosed