SCHEMBL2557121

SCHEMBL2557121

COC(=O)CCNC(=O)c1ccc(B(O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.51
CTSG P08311 1/20 0.51
CTRB1 P17538 1/20 0.51
CMA1 P23946 1/20 0.51
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TRPV1 Q8NER1 3/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL15798251 0.88 NPC1 (0.56) MAPTALDH1A1NPC1RAB9APOLB
SCHEMBL1403590 0.87 MAPT (0.53) PRSS1CTSGCTRB1CMA1MAPT
SCHEMBL29950607 0.84 KDM4E (0.55) SMN1; SMN2ALDH1A1TRPV1NPC1RAB9A
SCHEMBL1490749 0.84 HPGD (0.62) SMN1; SMN2ALDH1A1TRPV1NPC1RAB9A
SCHEMBL25231901 0.83 TRPV1 (0.57) ALDH1A1TRPV1POLBLMNACYP1A2
SCHEMBL20378006 0.82 PRSS1 (0.50) PRSS1CTSGCTRB1CMA1MAPT
SCHEMBL29588558 0.82 PRSS1 (0.50) PRSS1CTSGCTRB1CMA1MAPT
SCHEMBL2273935 0.82 PRSS1 (0.56) PRSS1CTSGCTRB1CMA1MAPT
SCHEMBL14120823 0.82 POLB (0.62) PRSS1CTSGCTRB1CMA1MAPT
SCHEMBL13499229 0.81 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1NPC1RAB9APOLB

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