SCHEMBL5312438

SCHEMBL5312438

COC(=O)c1ccc(CN2CCN(C(=O)OCC(C)C)CCC2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KIT P10721 1/20 0.44
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 3/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5313737 0.83 HDAC1 (0.61) HDAC1HDAC6KMT2AMAPTALDH1A1
SCHEMBL1256116 0.76 L3MBTL1 (0.57) ALDH1A1HPGDLMNARAB9AL3MBTL1
SCHEMBL22042582 0.76 RAB9A (0.57) HDAC1HDAC6MAPTALDH1A1GAA
SCHEMBL1876108 0.76 POLB (0.47) KITALDH1A1HPGDLMNAL3MBTL1
SCHEMBL5177505 0.75 HDAC1 (0.50) HDAC1HDAC6KMT2AMAPTALDH1A1
SCHEMBL5662698 0.73 RAB9A (0.47) HDAC1HDAC6KMT2AMAPTALDH1A1
SCHEMBL1017443 0.73 HDAC1 (0.65) HDAC1HDAC6KMT2AMAPTALDH1A1
SCHEMBL3923329 0.71 FAAH (0.52) KITALDH1A1L3MBTL1SMN1; SMN2
Hydrochloric Acid SCHEMBL10901938 0.71 KDM4E (0.66) KMT2AMAPTALDH1A1GAAHPGD
SCHEMBL1721447 0.69 KIT (0.43) KITKMT2AALDH1A1GAAHPGD

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-2007079003-A2 AMIDE INHIBITORS OF LEUKOTRIENE A4 HYDROLASE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-07-12 WO disclosed