SCHEMBL2558079

SCHEMBL2558079

CC(C)NC(=O)CCOc1ccccc1OCC=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
NLRP1 Q9C000 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 4/20 0.43
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
SLC22A1 O15245 1/20 0.39
CYP1A2 P05177 1/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 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
SCHEMBL2560058 0.84 SMN1; SMN2 (0.56) HPGDNLRP1SMN1; SMN2MAPK1LMNA
SCHEMBL2562136 0.76 HPGD (0.51) HPGDNLRP1SMN1; SMN2MAPK1LMNA
SCHEMBL8258564 0.76 CYP1A2 (0.61) HPGDSMN1; SMN2KDM4ETDP1ALDH1A1
SCHEMBL15330229 0.74 FDPS (0.63) HPGDSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL7082489 0.73 LMNA (0.54) LMNAALDH1A1
SCHEMBL2559195 0.73 NPC1 (0.49) HPGDSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL2561469 0.72 HSD17B10 (0.55) HPGDSMN1; SMN2MAPK1LMNAKDM4E
SCHEMBL2559643 0.72 HPGD (0.65) HPGDNLRP1SMN1; SMN2LMNAKDM4E
SCHEMBL2560871 0.71 ALDH1A1 (0.51) HPGDSMN1; SMN2LMNAALDH1A1
SCHEMBL6369657 0.71 SMN1; SMN2 (0.60) HPGDSMN1; SMN2MAPK1LMNAKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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