SCHEMBL10754665

SCHEMBL10754665

CCCCOC(=O)/C=C(/CC(=O)OCCOCCO)C(=O)OCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
ATM Q13315 1/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
HCAR2 Q8TDS4 3/20 0.38
NPSR1 Q6W5P4 2/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36

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
SCHEMBL15488072 0.89 ATM (0.52) ATMTSHRHPGDMAPTHCAR2
SCHEMBL15488073 0.89 ATM (0.52) ATMTSHRHPGDMAPTHCAR2
SCHEMBL31218616 0.85 NAAA (0.50) ATMTSHRHPGDMAPTHCAR2
SCHEMBL31218611 0.84 FAAH (0.49) ATMTSHRHPGDMAPTHCAR2
SCHEMBL12267520 0.83 TSHR (0.36) EPHX2TSHRMEN1KMT2AALDH1A1
SCHEMBL13248673 0.83 NAAA (0.51) ATMTSHRHPGDHCAR2NPSR1
SCHEMBL31256674 0.83 NAAA (0.51) ATMTSHRHPGDHCAR2NPSR1
SCHEMBL31612596 0.83 NAAA (0.51) ATMTSHRHPGDHCAR2NPSR1
SCHEMBL13248672 0.83 NAAA (0.51) ATMTSHRHPGDHCAR2NPSR1
SCHEMBL31588109 0.83 NAAA (0.51) ATMTSHRHPGDHCAR2NPSR1

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
US-4687858-A HERBICIDES SANKYO COMPANY LIMITED (JP) 1987-08-18 US disclosed