SCHEMBL12195116

SCHEMBL12195116

C=C/C=C\C=C(/C)COC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.52
TET3 O43151 4/20 0.52
FBXL19 Q6PCT2 4/20 0.52
CXXC5 Q7LFL8 4/20 0.52
KDM2B Q8NHM5 4/20 0.52
CXXC4 Q9H2H0 4/20 0.52
KDM2A Q9Y2K7 4/20 0.52
TET1 Q8NFU7 3/20 0.52
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
OPRM1 P35372 4/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 3/20 0.40
SLC22A1 O15245 1/20 0.40
SLC6A4 P31645 1/20 0.40
ADRA1A P35348 1/20 0.40
KCNH2 Q12809 1/20 0.40
RCE1 Q9Y256 1/20 0.39
HSD11B1 P28845 1/20 0.39
CYP2C19 P33261 2/20 0.38

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
SCHEMBL2467789 0.73 KMT2A (0.58) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL1447090 0.72 OPRD1 (0.56) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL20385864 0.72 SMN1; SMN2 (0.35) KMT2AMEN1RAB9AKCNH2CYP2C19
SCHEMBL972474 0.69 TSHR (0.65) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL119410 0.68 KMT2A (0.49) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL23779147 0.67 KMT2A (0.69) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL17187989 0.66 KMT2A (0.52) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL3910173 0.66 RORC (0.57) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL2702559 0.66 KMT2A (0.68) KMT2ATET3FBXL19CXXC5KDM2B
SCHEMBL11264109 0.65 OPRM1 (0.55) KMT2AMEN1OPRM1OPRD1OPRK1

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
EP-2371366-A1 Heterocyclo inhibitors of potassium channel function Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed