SCHEMBL2558632

SCHEMBL2558632

CCCNC(=O)CN(C)c1ccc(C=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.45
ALDH3A1 P30838 1/20 0.45
ALDH1A3 P47895 1/20 0.45
CYP2A6 P11509 1/20 0.43
CYP2A13 Q16696 1/20 0.43
GAA P10253 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MAPT P10636 3/20 0.41
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
HSD17B3 P37058 1/20 0.35
GFER P55789 2/20 0.34
HDAC1 Q13547 1/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL29957049 0.88 ALDH1A1 (0.47) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL2561866 0.85 MAPT (0.43) ALDH1A1CYP2A6CYP2A13MAPTTSHR
SCHEMBL2555022 0.81 CYP2A6 (0.48) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL2561228 0.81 ALDH1A1 (0.39) ALDH1A1ALDH3A1ALDH1A3SMN1; SMN2TSHR
SCHEMBL2558806 0.80 BCHE (0.38) ALDH1A1GAASMN1; SMN2NPC1RAB9A
SCHEMBL2558529 0.79 ALDH3A1 (0.37) ALDH1A1ALDH3A1ALDH1A3SMN1; SMN2TSHR
SCHEMBL2555212 0.78 CYP2A6 (0.44) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL2555782 0.77 MEN1 (0.35) ALDH1A1GAASMN1; SMN2MAPTTSHR
SCHEMBL3349873 0.76 CYP2A6 (0.53) ALDH1A1ALDH3A1ALDH1A3CYP2A6CYP2A13
SCHEMBL2553177 0.75 TSHR (0.43) ALDH1A1RAB9AMAPTTSHRLMNA

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