SCHEMBL2560739

SCHEMBL2560739

O=Cc1ccccc1OCC(=O)NCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.65
ESR1 P03372 1/20 0.64
YWHAB P31946 1/20 0.64
PDK1 Q15118 1/20 0.64
ALDH1A1 P00352 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
PTGDR2 Q9Y5Y4 1/20 0.60
LMNA P02545 3/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
PTPN1 P18031 1/20 0.52
ABCB1 P08183 1/20 0.51
HPGD P15428 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C19 P33261 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL29956005 0.86 SMN1; SMN2 (0.66) MAPTALDH1A1SMN1; SMN2PTGDR2LMNA
SCHEMBL7365741 0.85 PTGDR2 (0.60) MAPTESR1YWHABPDK1ALDH1A1
SCHEMBL15332808 0.83 PTGDR2 (0.59) MAPTALDH1A1SMN1; SMN2PTGDR2LMNA
SCHEMBL29950848 0.81 KMT2A (0.62) MAPTALDH1A1SMN1; SMN2PTGDR2NPC1
SCHEMBL2552236 0.81 HPGD (0.67) MAPTALDH1A1SMN1; SMN2PTGDR2NPC1
SCHEMBL2558935 0.81 PTGDR2 (0.56) MAPTESR1YWHABPDK1ALDH1A1
SCHEMBL29955221 0.80 PTGDR2 (0.62) MAPTALDH1A1SMN1; SMN2PTGDR2NPC1
SCHEMBL2555017 0.80 MAPT (0.56) MAPTALDH1A1SMN1; SMN2PTGDR2LMNA
SCHEMBL22588977 0.80 PTGDR2 (0.55) MAPTALDH1A1SMN1; SMN2PTGDR2NPC1
SCHEMBL2562334 0.79 HPGD (0.57) MAPTALDH1A1SMN1; SMN2PTGDR2LMNA

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