SCHEMBL9027331

SCHEMBL9027331

CC(=O)OC(CC[C@@H](C)CCCc1nc2c(c(=O)[nH]c(=O)n2C)n1C)C(C)(C)Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ GAA P10253 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ALDH1A1 P00352 13/20 0.37
▸ MAPK1 P28482 4/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 5/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ POLB P06746 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALPL P05186 1/20 0.36
▸ ALPI P09923 1/20 0.36
▸ ALPG P10696 1/20 0.36
▸ GRK2 P25098 1/20 0.36
▸ PTPN7 P35236 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35

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
SCHEMBL8952643 0.80 L3MBTL1 (0.43) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8952594 0.80 L3MBTL1 (0.43) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL9027534 0.80 MAPT (0.46) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL7594917 0.79 MAPT (0.44) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL9027815 0.79 MAPT (0.44) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8803624 0.78 MAPT (0.43) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL9027396 0.78 MAPT (0.43) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL9026833 0.78 MAPT (0.43) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL9026632 0.78 MAPT (0.43) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1
SCHEMBL8802202 0.78 MAPT (0.43) MAPTSMN1; SMN2GAAL3MBTL1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 — — EP disclosed
EP-0662834-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-07-19 — — EP disclosed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 — — WO disclosed
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