SCHEMBL2558715

SCHEMBL2558715

NC(=O)CCOc1ccccc1C=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.67
HTT P42858 2/20 0.67
HPGD P15428 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
PTGDR2 Q9Y5Y4 1/20 0.60
LMNA P02545 4/20 0.47
KMT2A Q03164 6/20 0.47
MEN1 O00255 4/20 0.47
RAD52 P43351 1/20 0.47
MAPT P10636 1/20 0.47
SRC P12931 1/20 0.46
GAA P10253 1/20 0.44
KDM4E B2RXH2 4/20 0.43
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
POLB P06746 1/20 0.41
RECQL P46063 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL31428467 0.84 PTGDR2 (0.72) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL1752352 0.84 PTGDR2 (0.72) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL2557964 0.84 PTGDR2 (0.72) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL6914412 0.81 ALDH1A1 (1.00) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL2558191 0.81 NPC1 (0.54) ALDH1A1HTTHPGDSMN1; SMN2LMNA
SCHEMBL11783241 0.80 ALDH1A1 (0.62) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL2555476 0.79 MEN1 (0.43) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL5304037 0.79 PTGDR2 (0.70) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL8372730 0.79 ALDH1A1 (0.87) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2
SCHEMBL5805320 0.79 ALDH1A1 (0.87) ALDH1A1HTTHPGDSMN1; SMN2PTGDR2

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