SCHEMBL7594917

SCHEMBL7594917

CC(=O)O[C@H](C)CCCCc1nc2c(c(=O)[nH]c(=O)n2C)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ GAA P10253 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ ALDH1A1 P00352 10/20 0.42
▸ HSD17B10 Q99714 5/20 0.42
▸ MAPK1 P28482 4/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HPGD P15428 3/20 0.41
▸ TSHR P16473 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ POLB P06746 3/20 0.41
▸ ALPL P05186 1/20 0.41
▸ ALPI P09923 1/20 0.41
▸ ALPG P10696 1/20 0.41
▸ GRK2 P25098 1/20 0.41
▸ PTPN7 P35236 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ GFER P55789 1/20 0.39
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL8644775 0.88 SMN1; SMN2 (0.43) L3MBTL1GAASMN1; SMN2ALDH1A1HSD17B10
SCHEMBL10394898 0.86 L3MBTL1 (0.47) MAPTL3MBTL1GAASMN1; SMN2ALDH1A1
SCHEMBL9027815 0.86 MAPT (0.44) MAPTL3MBTL1GAASMN1; SMN2ALDH1A1
SCHEMBL9026632 0.85 MAPT (0.43) MAPTL3MBTL1GAASMN1; SMN2ALDH1A1
SCHEMBL9026833 0.85 MAPT (0.43) MAPTL3MBTL1GAASMN1; SMN2ALDH1A1
SCHEMBL8802202 0.85 MAPT (0.43) MAPTL3MBTL1GAASMN1; SMN2ALDH1A1
SCHEMBL8803624 0.85 MAPT (0.43) MAPTL3MBTL1GAASMN1; SMN2ALDH1A1
SCHEMBL9027705 0.85 MAPT (0.43) MAPTL3MBTL1GAASMN1; SMN2ALDH1A1
SCHEMBL9027396 0.85 MAPT (0.43) MAPTL3MBTL1GAASMN1; SMN2ALDH1A1
SCHEMBL8077168 0.85 MAPT (0.43) MAPTL3MBTL1GAASMN1; SMN2ALDH1A1

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-0759915-B1 ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS CELL THERAPEUTICS INC (US) 2002-10-16 — — EP disclosed
EP-0759915-A1 ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS CELL THERAPEUTICS, INC. (US) 1997-03-05 — — EP disclosed
WO-1995031450-A1 ASYMMETRIC SYNTHESIS OF CHIRAL SECONDARY ALCOHOLS CELL THERAPEUTICS, INC. (US) 1995-11-23 — — WO disclosed
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