SCHEMBL1866841

SCHEMBL1866841

C=CCOC(=O)COc1ccccc1.C=CCOC(=O)COc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 2/20 0.56
ALOX15 P16050 1/20 0.53
CYP3A4 P08684 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
PKM P14618 1/20 0.51
KDM4E B2RXH2 4/20 0.50
ALDH1A1 P00352 4/20 0.50
HSD17B10 Q99714 4/20 0.50
HPGD P15428 3/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
THRB P10828 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
MAPT P10636 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 2/20 0.45

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
SCHEMBL114035 1.00 CASP1 (0.56) CASP1ALOX15CYP3A4SMN1; SMN2PKM
SCHEMBL8143538 0.92 CASP1 (0.50) CASP1ALOX15CYP3A4SMN1; SMN2PKM
SCHEMBL28250094 0.91 CASP1 (0.49) CASP1ALOX15CYP3A4SMN1; SMN2PKM
SCHEMBL9542594 0.86 ALDH1A1 (0.53) CASP1CYP3A4SMN1; SMN2PKMKDM4E
SCHEMBL5690353 0.85 KDM4E (0.52) CASP1CYP3A4SMN1; SMN2KDM4EALDH1A1
SCHEMBL24871065 0.83 HPGD (0.57) SMN1; SMN2KDM4EALDH1A1HSD17B10HPGD
SCHEMBL11783181 0.83 CASP1 (0.61) CASP1CYP3A4SMN1; SMN2PKMKDM4E
SCHEMBL9407588 0.83 CASP1 (0.59) CASP1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL13956302 0.82 ALDH1A1 (0.48) CASP1CYP3A4SMN1; SMN2PKMKDM4E
SCHEMBL9090457 0.82 ALOX15 (0.57) CASP1ALOX15SMN1; SMN2KDM4EHPGD

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-2496682-A1 DELIVERY PARTICLE The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2011056935-A1 DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed