SCHEMBL21834811

SCHEMBL21834811

CC(=O)N[C@@H](CCCCOC(=O)NC(C)(C)C)c1cc(C)c2ccccc2n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.37
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
LTB4R Q15722 1/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
POLB P06746 2/20 0.35
GLA P06280 2/20 0.35
MAPT P10636 3/20 0.35
TACR3 P29371 2/20 0.35
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SCN9A Q15858 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PRNP P04156 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL28494301 0.86 ALDH1A1 (0.39) KDM4EALDH1A1USP2LMNALTB4R
SCHEMBL28494302 0.86 ALDH1A1 (0.39) KDM4EALDH1A1USP2LMNALTB4R
SCHEMBL21848465 0.81 MAPT (0.47) KMT2AMEN1MAPTGAANPC1
SCHEMBL21834812 0.81 MAPT (0.47) KMT2AMEN1MAPTGAANPC1
SCHEMBL21834844 0.75 FPR1 (0.47) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL21834843 0.75 FPR1 (0.47) ALDH1A1LMNAKMT2APOLBMAPT
SCHEMBL21848543 0.74 GPR55 (0.47) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL21848423 0.74 GPR55 (0.47) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL21834803 0.74 GPR55 (0.47) KDM4EALDH1A1KMT2AMEN1POLB
SCHEMBL21848520 0.71 ALDH1A1 (0.51) KDM4EALDH1A1LMNAKMT2AMEN1

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