SCHEMBL14822027

SCHEMBL14822027

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

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.55
▸ TRPM8 Q7Z2W7 10/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ LMNA P02545 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ HTT P42858 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ MAPT P10636 1/20 0.48
▸ CACNA1B Q00975 1/20 0.48
▸ APBA1 Q02410 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL14822026 1.00 ALDH1A1 (0.55) ALDH1A1TRPM8SMN1; SMN2NPC1LMNA
SCHEMBL14821560 0.89 NPC1 (0.55) ALDH1A1TRPM8SMN1; SMN2NPC1LMNA
SCHEMBL14821559 0.89 NPC1 (0.55) ALDH1A1TRPM8SMN1; SMN2NPC1LMNA
SCHEMBL14821565 0.86 ALDH1A1 (0.53) ALDH1A1TRPM8SMN1; SMN2NPC1LMNA
SCHEMBL14821892 0.85 TRPM8 (0.52) ALDH1A1TRPM8SMN1; SMN2NPC1LMNA
SCHEMBL15276665 0.84 TRPM8 (0.67) ALDH1A1TRPM8SMN1; SMN2NPC1LMNA
SCHEMBL15276664 0.84 TRPM8 (0.67) ALDH1A1TRPM8SMN1; SMN2NPC1LMNA
SCHEMBL14821554 0.83 ALDH1A1 (0.57) ALDH1A1TRPM8SMN1; SMN2NPC1LMNA
SCHEMBL14821580 0.83 ALDH1A1 (0.57) ALDH1A1TRPM8SMN1; SMN2NPC1LMNA
SCHEMBL14821582 0.83 ALDH1A1 (0.57) ALDH1A1TRPM8SMN1; SMN2NPC1LMNA

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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