SCHEMBL21593860

SCHEMBL21593860

COc1cc(CC(=O)N2CCCCC2C(C)C)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.47
FKBP1A P62942 5/20 0.47
TACR1 P25103 1/20 0.47
POLB P06746 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
FKBP5 Q13451 1/20 0.44

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
SCHEMBL21594744 0.84 KMT2A (0.59) SIGMAR1KMT2AMEN1FKBP1APOLB
SCHEMBL21540140 0.84 KMT2A (0.59) SIGMAR1KMT2AMEN1FKBP1APOLB
SCHEMBL7395808 0.82 FKBP1A (0.52) SIGMAR1KMT2AMEN1FKBP1APOLB
SCHEMBL17884409 0.82 FKBP1A (0.52) SIGMAR1KMT2AMEN1FKBP1APOLB
SCHEMBL21540139 0.82 SIGMAR1 (0.52) SIGMAR1KMT2AMEN1FKBP1APOLB
SCHEMBL21540292 0.81 FKBP1A (0.54) SIGMAR1KMT2AMEN1FKBP1APOLB
SCHEMBL17884595 0.79 SIGMAR1 (0.52) SIGMAR1KMT2AMEN1FKBP1APOLB
SCHEMBL21540174 0.79 FKBP1A (0.52) SIGMAR1KMT2AMEN1FKBP1APOLB
SCHEMBL5741062 0.78 POLB (0.51) SIGMAR1KMT2AMEN1FKBP1APOLB
SCHEMBL5741069 0.78 POLB (0.51) SIGMAR1KMT2AMEN1FKBP1APOLB

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-2019238817-A1 BIFUNCTIONAL MOLECULES FOR TARGETING RPN11 UNIVERSITY OF DUNDEE (GB) 2019-12-19 WO disclosed