SCHEMBL5599629

SCHEMBL5599629

CNC(=O)CCCc1cc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.53
EP300 Q09472 2/20 0.47
TRPV1 Q8NER1 1/20 0.46
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
MAPT P10636 2/20 0.43
MEN1 O00255 2/20 0.43
TSHR P16473 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC1 Q13547 2/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL678077 0.83 ALOX5 (0.56) OPRD1EP300TRPV1RAB9ASMN1; SMN2
SCHEMBL7760695 0.81 OPRD1 (0.56) OPRD1EP300MAPTMEN1KMT2A
SCHEMBL7902764 0.80 OPRD1 (0.54) OPRD1EP300MAPTCYP1A2CYP2D6
SCHEMBL14195275 0.79 ALOX5 (0.51) OPRD1EP300MAPK14
SCHEMBL7756777 0.78 OPRD1 (0.52) OPRD1EP300CYP1A2CYP2D6CYP2C9
SCHEMBL7899189 0.77 OPRD1 (0.51) OPRD1EP300MAPTMEN1TSHR
SCHEMBL7760704 0.75 OPRD1 (0.49) OPRD1EP300MAPTMEN1TSHR
SCHEMBL7760707 0.75 OPRD1 (0.50) OPRD1EP300MEN1KMT2AL3MBTL1
SCHEMBL7760717 0.75 OPRD1 (0.50) OPRD1EP300MEN1KMT2ASMN1; SMN2
SCHEMBL7761536 0.74 OPRD1 (0.48) OPRD1EP300MAPTMEN1KMT2A

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-1799196-A2 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER Aditech Pharma AB (SE) 2007-06-27 EP disclosed
WO-2006037342-A2 CONTROLLED RELEASE PHARMACEUTICAL COMPOSITIONS COMPRISING A FUMARIC ACID ESTER ADITECH PHARMA AB (SE) 2006-04-13 WO disclosed