SCHEMBL21441429

SCHEMBL21441429

C=C(CCC(=C)c1ncccc1C(F)(F)F)c1ccc2[nH]ncc2c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 8/20 0.53
▸ WNT3A P56704 8/20 0.53
▸ TRPA1 O75762 10/20 0.46
▸ TRPM8 Q7Z2W7 3/20 0.46
▸ TRPV1 Q8NER1 3/20 0.43
▸ PTK2 Q05397 1/20 0.41
▸ PTK2B Q14289 1/20 0.41

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
SCHEMBL21441408 0.85 CTNNB1 (0.51) CTNNB1WNT3ATRPA1
SCHEMBL21441390 0.83 CTNNB1 (0.51) CTNNB1WNT3A
SCHEMBL21441313 0.83 CTNNB1 (0.69) CTNNB1WNT3ATRPA1TRPM8TRPV1
SCHEMBL21441359 0.83 CTNNB1 (0.48) CTNNB1WNT3ATRPA1TRPV1
SCHEMBL15988725 0.83 CTNNB1 (0.71) CTNNB1WNT3ATRPA1TRPM8TRPV1
SCHEMBL21441365 0.80 CTNNB1 (0.54) CTNNB1WNT3A
SCHEMBL21441419 0.79 CTNNB1 (0.50) CTNNB1WNT3ATRPA1TRPM8
SCHEMBL21441283 0.78 CTNNB1 (0.50) CTNNB1WNT3ATRPA1TRPM8
SCHEMBL21441274 0.77 CTNNB1 (0.67) CTNNB1WNT3A
SCHEMBL21441401 0.77 CTNNB1 (0.53) CTNNB1WNT3A

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-3206686-B1 GAMMA-DIKETONES FOR TREATMENT AND PREVENTION OF AGING SKIN AND WRINKLES SAMUMED LLC (US) 2019-10-09 — — EP disclosed
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