SCHEMBL7110222

SCHEMBL7110222

O=C(OCc1cccc(O)c1)N(c1ccccc1)C1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.64
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.50
NPC1 O15118 1/20 0.50
MITF O75030 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
PAX8 Q06710 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRM3 P20309 6/20 0.49
CHRM5 P08912 5/20 0.49
CHRM1 P11229 5/20 0.49
CHRM2 P08172 5/20 0.49
OPRM1 P35372 8/20 0.48
OPRK1 P41145 7/20 0.48
OPRD1 P41143 6/20 0.48
TRPM8 Q7Z2W7 2/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL7110221 0.89 ENPP2 (0.62) ENPP2KDM4EMEN1NPC1MITF
SCHEMBL7659522 0.84 ENPP2 (0.60) ENPP2KDM4EMEN1NPC1MITF
SCHEMBL10891234 0.78 ALDH1A1 (0.62) ENPP2KDM4EMEN1NPC1MITF
SCHEMBL7105658 0.77 OPRK1 (0.45) MEN1NPC1ALDH1A1RAB9AKMT2A
SCHEMBL14174341 0.77 ENPP2 (0.59) ENPP2ALDH1A1CHRM3CHRM5CHRM1
SCHEMBL7181893 0.76 ALDH1A1 (0.60) ENPP2KDM4EMEN1NPC1MITF
SCHEMBL21872794 0.76 ENPP2 (0.60) ENPP2MEN1ALDH1A1KMT2ACHRM3
SCHEMBL13503640 0.74 ENPP2 (0.56) ENPP2ALDH1A1CHRM3CHRM5CHRM1
SCHEMBL7116418 0.74 KDM4E (0.48) ENPP2KDM4EMEN1NPC1MITF
SCHEMBL29009687 0.74 ENPP2 (0.58) ENPP2KDM4EMEN1NPC1MITF

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-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 EP disclosed
EP-1013639-A1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit F. HOFFMANN-LA ROCHE AG (CH) 2000-06-28 EP disclosed