SCHEMBL11268835

SCHEMBL11268835

CCOC(=O)C(=O)CC(=O)C(=CN(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.46
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ CYP19A1 P11511 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 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
SCHEMBL11268820 1.00 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8936806 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL19040949 0.87 ALDH1A1 (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL25735405 0.84 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL31339145 0.84 ALDH1A1 (0.54) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL18256858 0.81 MEN1 (0.51) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27580565 0.81 RECQL (0.43) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL28349093 0.80 AKT1 (0.43) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2373777 0.79 CES2 (0.53) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL2373780 0.79 CES2 (0.53) ALDH1A1MAPTKMT2ASMN1; SMN2KDM4E

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
US-4364956-A ASTHMA LILLY INDUSTRIES LIMITED (GB) 1982-12-21 — — US disclosed
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