SCHEMBL15047600

SCHEMBL15047600

CCCCOCCOC(=O)/C=C/C(=O)OCCOCCC

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.70
HCAR2 Q8TDS4 5/20 0.61
MAPT P10636 2/20 0.53
RAB9A P51151 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TSHR P16473 5/20 0.50
HPGD P15428 1/20 0.50
ALDH1A1 P00352 3/20 0.45
TP53 P04637 2/20 0.45
HIF1A Q16665 2/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP3A4 P08684 1/20 0.42
APP P05067 1/20 0.42
THRB P10828 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 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
SCHEMBL18264191 0.96 ATM (0.76) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL2890708 0.96 ATM (0.76) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL2898518 0.96 ATM (0.76) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL9869162 0.96 ATM (0.76) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL5180602 0.96 ATM (0.76) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL9629896 0.92 ATM (0.83) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL6556813 0.92 ATM (0.83) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL9630966 0.92 ATM (0.83) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL15047671 0.92 HCAR2 (0.63) ATMHCAR2MAPTRAB9ANPSR1
SCHEMBL5342257 0.92 HCAR2 (0.63) ATMHCAR2MAPTRAB9ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013090861-A1 ALPHA-AMINOAMIDINE POLYMERS AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-06-20 WO disclosed