SCHEMBL14821573

SCHEMBL14821573

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

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ ALDH1A1 P00352 6/20 0.52
▸ TRPM8 Q7Z2W7 8/20 0.50
▸ LMNA P02545 3/20 0.48
▸ MAPT P10636 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GAA P10253 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL14821833 0.90 ALDH1A1 (0.56) NPC1ALDH1A1TRPM8LMNAMAPT
SCHEMBL14821835 0.90 ALDH1A1 (0.56) NPC1ALDH1A1TRPM8LMNAMAPT
SCHEMBL15276646 0.85 TRPM8 (0.59) NPC1ALDH1A1TRPM8LMNAMAPT
SCHEMBL15276645 0.85 TRPM8 (0.59) NPC1ALDH1A1TRPM8LMNAMAPT
SCHEMBL14821554 0.83 ALDH1A1 (0.57) NPC1ALDH1A1TRPM8LMNAMAPT
SCHEMBL14821580 0.83 ALDH1A1 (0.57) NPC1ALDH1A1TRPM8LMNAMAPT
SCHEMBL14821582 0.83 ALDH1A1 (0.57) NPC1ALDH1A1TRPM8LMNAMAPT
SCHEMBL14821822 0.82 ALDH1A1 (0.59) NPC1ALDH1A1TRPM8LMNAMAPT
SCHEMBL14821559 0.82 NPC1 (0.55) NPC1ALDH1A1TRPM8LMNASMN1; SMN2
SCHEMBL14821560 0.82 NPC1 (0.55) NPC1ALDH1A1TRPM8LMNASMN1; SMN2

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
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