SCHEMBL21594744

SCHEMBL21594744

COc1cc(CC(=O)N2CCCC[C@H]2C)cc(OC)c1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.57
HPGD P15428 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
SIGMAR1 Q99720 2/20 0.54
POLB P06746 2/20 0.49
FKBP1A P62942 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL21540140 1.00 KMT2A (0.59) KMT2AMEN1SMN1; SMN2HPGDL3MBTL1
SCHEMBL21540139 0.85 SIGMAR1 (0.52) KMT2AMEN1SMN1; SMN2HPGDL3MBTL1
SCHEMBL7395808 0.85 FKBP1A (0.52) KMT2AMEN1SMN1; SMN2L3MBTL1SIGMAR1
SCHEMBL17884409 0.85 FKBP1A (0.52) KMT2AMEN1SMN1; SMN2L3MBTL1SIGMAR1
SCHEMBL21593860 0.84 SIGMAR1 (0.51) KMT2AMEN1SMN1; SMN2L3MBTL1SIGMAR1
SCHEMBL17884595 0.82 SIGMAR1 (0.52) KMT2AMEN1SMN1; SMN2L3MBTL1SIGMAR1
SCHEMBL21540292 0.81 FKBP1A (0.54) KMT2AMEN1SMN1; SMN2SIGMAR1POLB
SCHEMBL5741069 0.81 POLB (0.51) KMT2AMEN1SMN1; SMN2L3MBTL1SIGMAR1
SCHEMBL5741062 0.81 POLB (0.51) KMT2AMEN1SMN1; SMN2L3MBTL1SIGMAR1
SCHEMBL11265370 0.81 HPGD (0.59) KMT2ASMN1; SMN2HPGDKDM4EALDH1A1

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-2019238816-A1 BIFUNCTIONAL MOLECULES FOR TARGETING UCHL5 UNIVERSITY OF DUNDEE (GB) 2019-12-19 WO disclosed