SCHEMBL11282608

SCHEMBL11282608

COC(=O)C(C=O)C(=O)C(N)c1ccco1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
ALOX5 P09917 1/20 0.37
POLB P06746 3/20 0.36
PKM P14618 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN7 P35236 1/20 0.36
BLM P54132 1/20 0.36
ESR2 Q92731 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 2/20 0.35
HPGD P15428 1/20 0.35
ATM Q13315 1/20 0.34
CYP2C19 P33261 2/20 0.33
AGTR1 P30556 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL5187859 0.81 ALOX5 (0.45) KMT2AALDH1A1MEN1KDM4EMAPT
Bromide SCHEMBL17420892 0.80 ALOX5 (0.44) KMT2AALDH1A1MEN1KDM4EMAPT
Hydrochloric Acid SCHEMBL5214675 0.80 ALOX5 (0.44) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL11282166 0.78 KMT2A (0.54) KMT2AALDH1A1MEN1L3MBTL1ATM
SCHEMBL11282836 0.75 CFTR (0.32)
SCHEMBL11282893 0.73 ALOX5 (0.38) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL4751567 0.71 KMT2A (0.47) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL3016271 0.71 ALOX5 (0.41) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL5535025 0.70 ALDH1A1 (0.48) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL10369018 0.70 KMT2A (0.60) KMT2AALDH1A1MEN1KDM4EMAPT

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-4344956-A Oxotetrahydrothiophenes ERCOLI NICOLO 1982-08-17 US disclosed