SCHEMBL18306754

SCHEMBL18306754

CCCCCN(C(=O)COc1ccc2c(c1)OCO2)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.60
▸ ALDH1A1 P00352 1/20 0.60
▸ TRPM8 Q7Z2W7 4/20 0.59
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ RAB9A P51151 6/20 0.49
▸ NPC1 O15118 5/20 0.49
▸ JAK2 O60674 1/20 0.49
▸ PAX8 Q06710 1/20 0.49
▸ MAOB P27338 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ MAOA P21397 1/20 0.46

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
SCHEMBL2729280 0.78 TRPM8 (0.70) TRPM8L3MBTL1POLB
SCHEMBL23126358 0.76 MAOB (0.55) MAPTALDH1A1TRPM8L3MBTL1RAB9A
SCHEMBL22074382 0.76 TRPM8 (0.63) MAPTALDH1A1TRPM8L3MBTL1RAB9A
SCHEMBL20363079 0.75 TRPM8 (0.63) MAPTALDH1A1TRPM8RAB9ANPC1
SCHEMBL10270943 0.74 TRPM8 (1.00) MAPTALDH1A1TRPM8L3MBTL1RAB9A
SCHEMBL11699284 0.72 HPGD (0.55) MAPTALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL22221556 0.72 MAOB (0.64) MAPTRAB9ANPC1MAOBSMN1; SMN2
SCHEMBL2729496 0.72 FKBP1A (0.63) MAPTALDH1A1TRPM8RAB9ANPC1
SCHEMBL10270781 0.72 TRPM8 (1.00) MAPTALDH1A1TRPM8RAB9ANPC1
SCHEMBL984460 0.72 MAOB (0.68) MAPTRAB9ANPC1MAOBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3115045-A2 DETECTION AND USE OF LOW MOLECULAR WEIGHT MODULATORS OF THE COLD MENTHOL RECEPTOR TRPM8 BASF SE (DE) 2017-01-11 — — EP disclosed
EP-3103447-A1 DETECTION AND USE OF LOW MOLECULAR WEIGHT MODULATORS OF THE COLD MENTHOL RECEPTOR TRPM8 BASF SE (DE) 2016-12-14 — — EP disclosed
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