SCHEMBL22100704

SCHEMBL22100704

CCCN(C(=O)CCc1ccc2c(c1)OCO2)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 4/20 0.70
▸ ALDH1A1 P00352 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ RAB9A P51151 1/20 0.49
▸ HPGD P15428 2/20 0.49
▸ PTGDR2 Q9Y5Y4 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ TRPA1 O75762 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 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
SCHEMBL9425857 0.83 TRPM8 (0.61) TRPM8TP53HPGD
SCHEMBL11695822 0.83 TRPM8 (1.00) TRPM8ALDH1A1RAB9AHPGDTRPA1
SCHEMBL9425793 0.78 HPGD (0.58) TRPM8HPGD
SCHEMBL22109121 0.78 TRPM8 (0.61) TRPM8ALDH1A1RAB9AHPGDTSHR
SCHEMBL9425573 0.77 TRPM8 (0.64) TRPM8ALDH1A1HPGDKMT2A
SCHEMBL9426557 0.77 TRPM8 (0.57) TRPM8HPGD
SCHEMBL6332632 0.77 TRPM8 (0.52) TRPM8ALDH1A1MAPTL3MBTL1RAB9A
SCHEMBL9425769 0.77 TRPM8 (0.67) TRPM8ALDH1A1RAB9A
SCHEMBL9425976 0.76 TRPM8 (0.62) TRPM8ALDH1A1MAPTRAB9AHPGD
SCHEMBL9788827 0.75 TRPM8 (0.62) TRPM8ALDH1A1MAPTL3MBTL1RAB9A

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
EP-2501761-B1 USE OF PHYSIOLOGICAL COOLING ACTIVE INGREDIENTS, AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2020-06-17 — — EP disclosed
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