SCHEMBL2561807

SCHEMBL2561807

COCCNC(=O)C(C)Oc1ccc(C=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.52
GAA P10253 1/20 0.49
ALDH1A3 P47895 1/20 0.47
ALDH1A1 P00352 6/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 3/20 0.42
HTT P42858 3/20 0.42
KDM4E B2RXH2 2/20 0.40
TSHR P16473 1/20 0.40
CYP2A6 P11509 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL15331559 0.92 GAA (0.56) HPGDGAAALDH1A3ALDH1A1MEN1
SCHEMBL15333466 0.86 ALDH1A3 (0.50) GAAALDH1A3ALDH1A1MEN1KMT2A
SCHEMBL2554358 0.86 HPGD (0.52) HPGDGAAALDH1A1MEN1KMT2A
SCHEMBL2557395 0.85 ALDH1A3 (0.49) HPGDGAAALDH1A3ALDH1A1MEN1
SCHEMBL29955755 0.84 GAA (0.52) GAAALDH1A3ALDH1A1MEN1KMT2A
SCHEMBL29955555 0.83 ALDH1A3 (0.53) GAAALDH1A3ALDH1A1MEN1KMT2A
SCHEMBL15331876 0.83 GAA (0.51) GAAALDH1A3ALDH1A1MEN1KMT2A
SCHEMBL2557689 0.82 ALDH1A1 (0.58) HPGDGAAALDH1A3ALDH1A1MEN1
SCHEMBL2563222 0.80 HPGD (0.74) HPGDGAAALDH1A1MEN1KMT2A
SCHEMBL2560029 0.80 ALDH1A3 (0.49) HPGDGAAALDH1A3ALDH1A1SMN1; 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