SCHEMBL2558072

SCHEMBL2558072

Cc1cc(B(O)O)ccc1OCC(C)C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
ENPP2 Q13822 1/20 0.38
HIF1A Q16665 1/20 0.37
AAK1 Q2M2I8 1/20 0.36
SCN4A P35499 1/20 0.36
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
KDM1A O60341 1/20 0.35
VDR P11473 6/20 0.35
AR P10275 4/20 0.35
ESR1 P03372 1/20 0.35
CA2 P00918 1/20 0.35
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35

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
SCHEMBL1156315 0.86 ALDH1A1 (0.54) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL2561555 0.86 TLR8 (0.39) ENPP2VDRAR
SCHEMBL2556651 0.84 ESR1 (0.51) GAAMAPTENPP2ESR1
SCHEMBL29952606 0.82 ALDH1A1 (0.46) ALDH1A1GAAMAPTENPP2KDM4E
SCHEMBL29954924 0.81 ESR1 (0.46) ALDH1A1MAPTENPP2KDM4EESR1
SCHEMBL3659031 0.81 ESR1 (0.46) ALDH1A1MAPTENPP2KDM4EESR1
SCHEMBL29956752 0.79 ENPP2 (0.43) ALDH1A1GAAMAPTTHRBGPR55
SCHEMBL1331417 0.78 XDH (0.52)
SCHEMBL29957542 0.78 ESR1 (0.42) ALDH1A1GAAMAPTTHRBENPP2
SCHEMBL4814769 0.78 ESR1 (0.42) ALDH1A1GAAMAPTTHRBENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
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
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed