SCHEMBL633130

SCHEMBL633130

Cc1ccc(COCC(C)(C)C)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CYP2C9 P11712 1/20 0.42
CHRM3 P20309 1/20 0.42
MAPT P10636 3/20 0.41
POLB P06746 3/20 0.38
TDP1 Q9NUW8 3/20 0.37
ALOX5 P09917 1/20 0.35
ALDH1A1 P00352 5/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NPC1 O15118 1/20 0.33
MAPK1 P28482 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
SCHEMBL16197726 0.83 CHRM2 (0.52) CHRM2MEN1KMT2ACHRM4CHRM5
SCHEMBL632041 0.78 CHRM2 (0.47) CHRM2MEN1KMT2ACHRM4CHRM5
SCHEMBL631921 0.76 CHRM2 (0.45) CHRM2MEN1KMT2ACHRM4CHRM5
Ether SCHEMBL17606594 0.76 CHRM2 (0.45) CHRM2MEN1KMT2ACHRM4CHRM5
SCHEMBL632678 0.73 CHRM2 (0.42) CHRM2MEN1KMT2ACHRM4CHRM5
SCHEMBL19943508 0.73 CHRM2 (0.42) CHRM2MEN1KMT2ACHRM4CHRM5
SCHEMBL31263367 0.73 CHRM2 (0.42) CHRM2MEN1KMT2ACHRM4CHRM5
SCHEMBL254883 0.73
SCHEMBL10025528 0.73 CHRM2 (0.50) CHRM2MEN1KMT2ACHRM4CHRM5
SCHEMBL20599781 0.72 CHRM2 (0.41) CHRM2MEN1KMT2ACHRM4CHRM5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197862-B1 5-SUBSTITUTED 2-METHYLFURAN FURANIX TECHNOLOGIES BV (NL) 2012-02-22 EP claimed
US-20100212218-A1 5-(SUBSTITUTED METHYL) 2-METHYLFURAN FURANIX TECHNOLOGIES B.V. (NL) 2010-08-26 US claimed
EP-2197862-A2 5-SUBSTITUTED 2-METHYLFURAN Furanix Technologies B.V (NL) 2010-06-23 EP claimed
WO-2009030510-A2 5-(SUBSTITUTED METHYL) 2-METHYLFURAN FURANIX TECHNOLOGIES B.V. (NL) 2009-03-12 WO claimed