SCHEMBL21848422

SCHEMBL21848422

CNC(CCC(=O)OCC(C)C)c1cc(C)c2ccccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
TOP2A P11388 3/20 0.41
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
GCG P01275 1/20 0.39
ELANE P08246 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.36

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
SCHEMBL21848540 0.73 MEN1 (0.46) KMT2AGAATOP2APRNPRXFP1
SCHEMBL25523684 0.71 PRNP (0.47) MAPTKMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL21834839 0.67 CYP1A2 (0.50) MAPTKMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL21848543 0.67 GPR55 (0.47) MAPTKMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL21848423 0.67 GPR55 (0.47) MAPTKMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL21834803 0.67 GPR55 (0.47) MAPTKMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL21834843 0.67 FPR1 (0.47) MAPTKMT2AALDH1A1PRNPRXFP1
SCHEMBL28494301 0.67 ALDH1A1 (0.39) MAPTKMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL28494302 0.67 ALDH1A1 (0.39) MAPTKMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL28840049 0.67 ALDH1A1 (0.49) MAPTKMT2AALDH1A1GAALMNA

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
WO-2020063399-A1 METHOD FOR LIGHT-INDUCED DECARBOXYLATION COUPLING OF ACTIVE CARBOXYLIC ACID ESTER UNDER NON-METAL CATALYSIS 中国科学技术大学 2020-04-02 WO disclosed