SCHEMBL18404646

SCHEMBL18404646

CCC(=O)NCCC(C)OCCNC

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
RECQL P46063 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HPGD P15428 2/20 0.33
POLB P06746 1/20 0.33
CNR1 P21554 1/20 0.33
EPHX2 P34913 1/20 0.32
LMNA P02545 1/20 0.32
CYP2C9 P11712 1/20 0.32
CPB2 Q96IY4 1/20 0.32

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
SCHEMBL24340595 0.83 KMT2A (0.47) KMT2AMEN1RECQLMTNR1AMTNR1B
SCHEMBL24259735 0.82 MEN1 (0.48) KMT2AMEN1RECQLMTNR1AMTNR1B
SCHEMBL20144577 0.80 TSHR (0.34) KMT2ARECQLALDH1A1HPGDEPHX2
SCHEMBL14176710 0.79 MEN1 (0.48) KMT2AMEN1RECQLALDH1A1EPHX2
SCHEMBL21152766 0.78 HTR2A (0.32)
SCHEMBL24514752 0.76 MTNR1A (0.39) MTNR1AMTNR1BALDH1A1
SCHEMBL10075276 0.74 KMT2A (0.52) KMT2AMEN1RECQLALDH1A1POLB
SCHEMBL14274645 0.74 MEN1 (0.52) KMT2AMEN1RECQLMTNR1AMTNR1B
SCHEMBL21153524 0.74 CHRNB2 (0.41) KMT2A
SCHEMBL21320744 0.74 MEN1 (0.47) KMT2AMEN1RECQLMTNR1AMTNR1B

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
EP-2600152-B1 SUGAR CHAIN ARRAY SUMITOMO BAKELITE CO (JP) 2017-01-25 EP disclosed