SCHEMBL2556412

SCHEMBL2556412

COc1ccc(C=O)cc1OCC(=O)NC(C)C

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
POLB P06746 1/20 0.62
KDM4E B2RXH2 3/20 0.54
TSHR P16473 1/20 0.54
FDPS P14324 1/20 0.51
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
RAB9A P51151 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PDE4B Q07343 1/20 0.47
SNCA P37840 1/20 0.47

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
SCHEMBL2562135 0.95 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2POLBKDM4ETSHR
SCHEMBL29957515 0.89 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBKDM4ETSHR
SCHEMBL2558742 0.88 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2POLBKDM4ELMNA
SCHEMBL2561213 0.87 FDPS (0.56) ALDH1A1SMN1; SMN2POLBKDM4ETSHR
SCHEMBL15332128 0.85 ALDH1A1 (0.89) ALDH1A1SMN1; SMN2POLBKDM4ETSHR
SCHEMBL2555761 0.85 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2POLBKDM4ETSHR
SCHEMBL2557610 0.84 SMN1; SMN2 (0.71) ALDH1A1SMN1; SMN2POLBTSHRLMNA
SCHEMBL28603357 0.84 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2POLBKDM4ELMNA
SCHEMBL2559017 0.84 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2POLBKDM4ETSHR
SCHEMBL29952761 0.84 ALDH1A1 (0.70) ALDH1A1SMN1; SMN2POLBKDM4ETSHR

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