SCHEMBL2561771

SCHEMBL2561771

CC(C)C(C)NC(=O)COc1ccccc1C=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.57
SMN1; SMN2 Q16637 5/20 0.56
RAB9A P51151 3/20 0.52
NPC1 O15118 1/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 1/20 0.50
KDM4E B2RXH2 1/20 0.48
MBTPS1 Q14703 1/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 3/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 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
SCHEMBL6369657 0.89 SMN1; SMN2 (0.60) PTGDR2SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL7365733 0.87 PTGDR2 (0.59) PTGDR2SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL29958222 0.85 PTGDR2 (0.56) PTGDR2SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL15333027 0.83 KDM4E (0.67) PTGDR2SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL2562211 0.83 PTGDR2 (0.54) PTGDR2SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL15330029 0.83 LMNA (0.56) PTGDR2SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL2562734 0.82 SMN1; SMN2 (0.57) SMN1; SMN2RAB9ANPC1NFKB1NFKB2
SCHEMBL2109475 0.81 PTGDR2 (0.66) PTGDR2SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL20249071 0.81 PTGDR2 (0.51) PTGDR2SMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL2560324 0.81 PTGDR2 (0.57) PTGDR2SMN1; SMN2RAB9ANPC1NFKB1

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