SCHEMBL8330366

SCHEMBL8330366

CCOC(=O)C1(CC(=O)O)Cc2cc3ccccc3n2C1CC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
OPRM1 P35372 7/20 0.35
OPRD1 P41143 4/20 0.35
OPRK1 P41145 4/20 0.35
SLC22A1 O15245 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
KCNH2 Q12809 1/20 0.35
OXER1 Q8TDS5 1/20 0.35
NOD2 Q9HC29 2/20 0.34
NOD1 Q9Y239 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 1/20 0.34
FGB P02675 1/20 0.34
NR1H2 P55055 1/20 0.34
OPRL1 P41146 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL8322862 0.70 MEN1 (0.36) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL3156042 0.66 HTR2A (0.46) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8330362 0.66 HTR2A (0.38) MEN1KMT2AOPRM1NOD2NOD1
SCHEMBL8328986 0.65 HTR2A (0.42) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL8322854 0.65 ALDH1A1 (0.36) MEN1KMT2AOPRM1NOD2NOD1
SCHEMBL8320925 0.62 HTR2A (0.42) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL12490981 0.62 NOD2 (0.55) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL3972260 0.61 NOD2 (0.53) MEN1KMT2ANOD2NOD1SMN1; SMN2
SCHEMBL28433212 0.61 SMN1; SMN2 (0.53) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL8447552 0.61 ALDH1A1 (0.44) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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-0470490-B1 Substituted pyrroles HOFFMANN LA ROCHE (CH) 1999-05-06 EP disclosed
US-5292747-A Substituted pyrroles HOFFMAN-LA ROCHE INC. (US) 1994-03-08 US disclosed