SCHEMBL14822017

SCHEMBL14822017

O=C(CC/C=C/c1ccc(O)c(O)c1)N(c1ccccn1)C1CCCCC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 9/20 0.53
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
LMNA P02545 4/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 3/20 0.52
POLB P06746 1/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
GAA P10253 1/20 0.47
THRB P10828 1/20 0.47

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
SCHEMBL14821796 0.91 TRPM8 (0.53) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL14822014 0.85 TRPM8 (0.73) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL15276725 0.85 TRPM8 (0.73) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL10270341 0.83 TRPM8 (0.76) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL14822016 0.81 TRPM8 (0.69) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL14821807 0.80 TRPM8 (0.61) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL14821832 0.79 TRPM8 (0.57) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL14822012 0.79 TRPM8 (0.60) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL14822021 0.78 TRPM8 (0.52) TRPM8ALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL14822022 0.78 TRPM8 (0.52) TRPM8ALDH1A1SMN1; SMN2LMNAHTT

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
WO-2013041621-A1 LOW MOLECULAR WEIGHT MODULATORS OF THE COLD-MENTHOL RECEPTOR TRPM8 AND USE THEREOF BASF SE (DE) 2013-03-28 WO disclosed