SCHEMBL22845584

SCHEMBL22845584

CC(C)CCOCCOCCNC(=O)CN

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CA2 P00918 6/20 0.46
HPGD P15428 1/20 0.39
ANPEP P15144 3/20 0.36
DNPEP Q9ULA0 2/20 0.36
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 4/20 0.35
CA1 P00915 4/20 0.35
CA4 P22748 4/20 0.35
CA9 Q16790 4/20 0.35
CA14 Q9ULX7 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
EPHX2 P34913 1/20 0.34
HTT P42858 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
RNPEP Q9H4A4 2/20 0.33
KDM4E B2RXH2 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
SCHEMBL19477877 0.87 MEN1 (0.46) MEN1KMT2ACA2HPGDALDH1A1
SCHEMBL25866786 0.85 KMT2A (0.50) MEN1KMT2AHPGDANPEPDNPEP
SCHEMBL11912094 0.84 MEN1 (0.50) MEN1KMT2ACA2HPGDALDH1A1
SCHEMBL23334288 0.84 MEN1 (0.50) MEN1KMT2ACA2HPGDALDH1A1
SCHEMBL21029891 0.84 MEN1 (0.50) MEN1KMT2ACA2HPGDALDH1A1
SCHEMBL25118082 0.84 KMT2A (0.50) MEN1KMT2ACA2HPGDALDH1A1
SCHEMBL25118084 0.84 MEN1 (0.50) MEN1KMT2AHPGDALDH1A1TDP1
SCHEMBL24982780 0.84 MEN1 (0.50) MEN1KMT2AHPGDALDH1A1TDP1
SCHEMBL11912095 0.84 MEN1 (0.50) MEN1KMT2ACA2HPGDALDH1A1
SCHEMBL26031870 0.84 MEN1 (0.50) MEN1KMT2ACA2HPGDALDH1A1

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-2020263935-A1 HCK DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-30 WO disclosed