SCHEMBL2562872

SCHEMBL2562872

COCCNC(=O)COc1ccc(C=O)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.75
SMN1; SMN2 Q16637 3/20 0.70
POLB P06746 1/20 0.66
FDPS P14324 1/20 0.59
HPGD P15428 4/20 0.58
KDM4E B2RXH2 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
HSD17B10 Q99714 1/20 0.53
TSHR P16473 2/20 0.53
CYP2C9 P11712 2/20 0.53
MAPT P10636 2/20 0.53
CYP1A2 P05177 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CYP2C19 P33261 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
LMNA P02545 1/20 0.50

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
SCHEMBL2559730 0.95 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2POLBFDPSHPGD
SCHEMBL15331508 0.89 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2POLBFDPSHPGD
SCHEMBL29956279 0.86 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2POLBFDPSHPGD
SCHEMBL15329828 0.86 HPGD (0.70) ALDH1A1SMN1; SMN2POLBHPGDKDM4E
SCHEMBL9152872 0.86 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2POLBFDPSHPGD
SCHEMBL29952641 0.86 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBFDPSHPGD
SCHEMBL2561032 0.85 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2POLBHPGDL3MBTL1
SCHEMBL15332801 0.84 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2POLBFDPSHPGD
SCHEMBL15332004 0.84 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2POLBFDPSKDM4E
SCHEMBL2552984 0.83 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBFDPSHPGD

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