SCHEMBL2554461

SCHEMBL2554461

O=C(COc1ccc(B(O)O)cc1)N1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 10/20 0.70
POLB P06746 1/20 0.70
ALDH1A1 P00352 6/20 0.67
HPGD P15428 2/20 0.65
USP2 O75604 1/20 0.65
SMN1; SMN2 Q16637 3/20 0.62
KDM4E B2RXH2 2/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 2/20 0.62
MAPT P10636 2/20 0.58
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
MAPK1 P28482 1/20 0.57
RECQL P46063 1/20 0.57
ATM Q13315 1/20 0.57
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55

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
SCHEMBL2559481 0.83 MEN1 (0.53) FKBP1APOLBALDH1A1HPGDUSP2
SCHEMBL13534672 0.82 FKBP1A (0.92) FKBP1APOLBALDH1A1HPGDUSP2
SCHEMBL15919449 0.82 FKBP1A (0.74) FKBP1APOLBALDH1A1HPGDUSP2
SCHEMBL2712996 0.82 FKBP1A (0.74) FKBP1APOLBALDH1A1HPGDUSP2
SCHEMBL8320871 0.82 ALDH1A1 (0.79) FKBP1APOLBALDH1A1HPGDUSP2
SCHEMBL8327182 0.81 FKBP1A (0.67) FKBP1APOLBALDH1A1HPGDUSP2
SCHEMBL12359393 0.80 FKBP1A (1.00) FKBP1APOLBALDH1A1HPGDUSP2
SCHEMBL335195 0.80 FKBP1A (0.74) FKBP1APOLBALDH1A1HPGDUSP2
SCHEMBL5692472 0.80 ALDH1A1 (1.00) FKBP1APOLBALDH1A1HPGDUSP2
SCHEMBL3154984 0.79 FKBP1A (0.69) FKBP1APOLBALDH1A1HPGDUSP2

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