SCHEMBL21441359

SCHEMBL21441359

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 7/20 0.48
▸ WNT3A P56704 7/20 0.48
▸ TRPA1 O75762 1/20 0.42
▸ ESR1 P03372 6/20 0.41
▸ NPC1 O15118 2/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ TGFBR1 P36897 1/20 0.38
▸ CLK1 P49759 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ METTL3 Q86U44 1/20 0.36

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 0.86 CTNNB1 (0.51) CTNNB1WNT3ATRPA1ESR1NPC1
SCHEMBL21441429 0.83 CTNNB1 (0.53) CTNNB1WNT3ATRPA1TRPV1
SCHEMBL21441365 0.83 CTNNB1 (0.54) CTNNB1WNT3AESR1NPC1CLK1
SCHEMBL21441304 0.82 CTNNB1 (0.48) CTNNB1WNT3ARAB9A
SCHEMBL21441278 0.82 CTNNB1 (0.51) CTNNB1WNT3ATRPA1ESR1NPC1
SCHEMBL15988714 0.81 CTNNB1 (0.66) CTNNB1WNT3ATRPA1ESR1NPC1
SCHEMBL21441263 0.80 CTNNB1 (0.67) CTNNB1WNT3ATRPA1MEN1RAB9A
SCHEMBL21441274 0.80 CTNNB1 (0.67) CTNNB1WNT3AESR1NPC1CLK1
SCHEMBL21441417 0.79 CTNNB1 (0.55) CTNNB1WNT3ATRPA1ESR1NPC1
SCHEMBL21441401 0.79 CTNNB1 (0.53) CTNNB1WNT3AESR1NPC1CLK1

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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