SCHEMBL2557531

SCHEMBL2557531

CC(C)(C)OC(=O)N1CCC(C)(C)c2ccc(B(O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.46
ESR2 Q92731 1/20 0.37
NR1H2 P55055 3/20 0.36
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
CHRM4 P08173 1/20 0.34
DRD2 P14416 1/20 0.34
HTR7 P34969 1/20 0.34
HSD11B1 P28845 3/20 0.33
RARA P10276 1/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
GNRHR P30968 1/20 0.32
RORC P51449 1/20 0.32
BUB1 O43683 1/20 0.32
MAPK1 P28482 1/20 0.32
TACR1 P25103 1/20 0.31

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
SCHEMBL6223405 0.91 KDM1A (0.48) KDM1AESR2NR1H2ALDH1A1LMNA
SCHEMBL2559033 0.88 NOTUM (0.39) KDM1AESR2NR1H2HDAC1HDAC6
SCHEMBL15074679 0.84 KDM1A (0.48) KDM1AESR2NR1H2ALDH1A1LMNA
SCHEMBL399420 0.83 NR1H2 (0.51) KDM1AESR2NR1H2ALDH1A1LMNA
SCHEMBL10256435 0.83 KDM1A (0.47) KDM1AESR2NR1H2ALDH1A1LMNA
SCHEMBL396958 0.81 ALDH1A1 (0.49) KDM1AALDH1A1LMNAMAPTDRD2
SCHEMBL11924574 0.81 KDM1A (0.46) KDM1AESR2NR1H2ALDH1A1LMNA
SCHEMBL29950719 0.80 CHRM4 (0.49) KDM1AESR2NR1H2HDAC1HDAC6
SCHEMBL2560309 0.78 KDM1A (0.40) KDM1AESR2NR1H2ALDH1A1LMNA
SCHEMBL17799889 0.78 BRD4 (0.43) KDM1AESR2NR1H2LMNACHRM4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed