SCHEMBL2558716

SCHEMBL2558716

C=CCNC(=O)C(C)Oc1ccccc1C=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LMNA P02545 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL29952275 0.85 SMN1; SMN2 (0.52) POLBPTGDR2ALDH1A1GAAHPGD
SCHEMBL2560004 0.84 SRC (0.45) POLBHPGDHTTHSD17B10KMT2A
SCHEMBL15331066 0.84 PTGDR2 (0.43) POLBPTGDR2ALDH1A1GAAHPGD
SCHEMBL2558613 0.83 PKM (0.46) POLBPTGDR2ALDH1A1GAAHPGD
SCHEMBL15330498 0.83 SMN1; SMN2 (0.54) POLBALDH1A1GAAHPGDHTT
SCHEMBL2561542 0.82 ALDH1A1 (0.49) ALDH1A1GAAHTTPKM
SCHEMBL2557556 0.82 RAB9A (0.47) ALDH1A1GAAHPGDHTTSMN1; SMN2
SCHEMBL2556326 0.82 PTGDR2 (0.44) POLBPTGDR2ALDH1A1GAAHPGD
SCHEMBL15330180 0.82 MAPT (0.50) POLBPTGDR2ALDH1A1GAAHPGD
SCHEMBL29950819 0.81 GAA (0.47) POLBPTGDR2ALDH1A1GAAHTT

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