SCHEMBL21441283

SCHEMBL21441283

C=C(CCC(=C)c1ccc2[nH]ncc2c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 7/20 0.50
▸ WNT3A P56704 7/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ METAP2 P50579 1/20 0.46
▸ CDC7 O00311 1/20 0.45
▸ DRD4 P21917 1/20 0.43
▸ SIGMAR1 Q99720 1/20 0.43
▸ DDR2 Q16832 3/20 0.42
▸ S1PR1 P21453 1/20 0.42
▸ TRPA1 O75762 3/20 0.42
▸ ROCK2 O75116 1/20 0.42
▸ TRPM8 Q7Z2W7 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
SCHEMBL21441419 0.89 CTNNB1 (0.50) CTNNB1WNT3AMEN1POLBKMT2A
SCHEMBL15980142 0.85 CTNNB1 (0.70) CTNNB1WNT3AMEN1POLBKMT2A
SCHEMBL21441337 0.84 ROCK2 (0.56) CTNNB1WNT3ACDC7TRPA1ROCK2
SCHEMBL21441262 0.83 CTNNB1 (0.66) CTNNB1WNT3AROCK2
SCHEMBL21441417 0.81 CTNNB1 (0.55) CTNNB1WNT3ATRPA1ROCK2
SCHEMBL21441313 0.81 CTNNB1 (0.69) CTNNB1WNT3ATRPA1TRPM8
SCHEMBL21441225 0.80 CTNNB1 (0.48) CTNNB1WNT3AS1PR1
SCHEMBL21441367 0.79 CTNNB1 (0.67) CTNNB1WNT3AMEN1KMT2AMETAP2
SCHEMBL21441401 0.79 CTNNB1 (0.53) CTNNB1WNT3AMEN1KMT2AMETAP2
SCHEMBL21441365 0.77 CTNNB1 (0.54) CTNNB1WNT3AMEN1KMT2AMETAP2

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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