SCHEMBL2554801

SCHEMBL2554801

CCOC(=O)C1CCCN(C(=O)c2cccc(B(O)O)c2)C1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.65
ALDH1A1 P00352 7/20 0.62
HPGD P15428 3/20 0.62
POLB P06746 2/20 0.62
HSD17B10 Q99714 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57

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
SCHEMBL13468069 0.87 ALDH1A1 (0.67) PKMALDH1A1HPGDPOLBHSD17B10
SCHEMBL2560313 0.87 HPGD (0.73) ALDH1A1HPGDPOLBHSD17B10SMN1; SMN2
SCHEMBL1223375 0.84 HPGD (0.76) ALDH1A1HPGDPOLBSMN1; SMN2MEN1
SCHEMBL20349612 0.82 ALDH1A1 (0.62) PKMALDH1A1HPGDPOLBHSD17B10
SCHEMBL5031054 0.79 HPGD (0.69) PKMALDH1A1HPGDPOLBHSD17B10
SCHEMBL7242265 0.78 HPGD (0.73) ALDH1A1HPGDPOLBSMN1; SMN2
SCHEMBL192942 0.78 HPGD (0.77) ALDH1A1HPGDPOLBHSD17B10SMN1; SMN2
SCHEMBL6271671 0.78 HPGD (0.77) ALDH1A1HPGDPOLBHSD17B10SMN1; SMN2
SCHEMBL29978605 0.78 HPGD (0.77) ALDH1A1HPGDPOLBHSD17B10SMN1; SMN2
SCHEMBL12504031 0.78 HPGD (0.77) ALDH1A1HPGDPOLBHSD17B10SMN1; SMN2

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