SCHEMBL28548565

SCHEMBL28548565

CCC(C)C(=O)OC(=O)C(N)Cc1c[nH]c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.61
MAPT P10636 2/20 0.61
MEN1 O00255 1/20 0.61
LMNA P02545 1/20 0.61
MPO P05164 1/20 0.61
TSHR P16473 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
KMT2A Q03164 1/20 0.61
HIF1A Q16665 1/20 0.61
TACR1 P25103 2/20 0.59
POLB P06746 2/20 0.57
APAF1 O14727 1/20 0.57
RECQL P46063 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTR2A P28223 2/20 0.56
ADRB1 P08588 1/20 0.56
HTR1A P08908 1/20 0.56
ADRA2A P08913 1/20 0.56
SLC6A2 P23975 1/20 0.56

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
SCHEMBL29701310 0.91 KDM4E (0.58) KDM4EMAPTMEN1LMNAMPO
SCHEMBL475351 0.90 MAPT (0.74) KDM4EMAPTMEN1LMNAMPO
SCHEMBL289044 0.90 MAPT (0.74) KDM4EMAPTMEN1LMNAMPO
SCHEMBL5065255 0.89 KDM4E (0.65) KDM4EMAPTMEN1LMNAMPO
SCHEMBL4400710 0.88 KDM4E (0.58) KDM4EMAPTMEN1LMNAMPO
SCHEMBL29701303 0.87 KDM4E (0.54) KDM4EMAPTMEN1LMNAMPO
SCHEMBL28547181 0.87 KDM4E (0.54) KDM4EMAPTMEN1LMNAMPO
SCHEMBL4852920 0.87 KDM4E (0.62) KDM4EMAPTMEN1LMNAMPO
SCHEMBL4335856 0.87 KDM4E (0.62) KDM4EMAPTMEN1LMNAMPO
SCHEMBL10527492 0.86 KDM4E (0.61) KDM4EMAPTMEN1LMNAMPO

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
CN-111971037-A Compositions comprising N-acetyl or N-acyl amino acids for the treatment of atopy or pruritis 斯特姆德公司 2020-11-20 CN disclosed