SCHEMBL31402809

SCHEMBL31402809

C=C(CCc1ccc(F)cc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.44
AOC3 Q16853 2/20 0.44
AOC2 O75106 1/20 0.44
MAOA P21397 1/20 0.44
TAAR1 Q96RJ0 3/20 0.43
FFAR1 O14842 1/20 0.43
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
P2RX7 Q99572 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL16155161 0.84 ESR1 (0.50) TAAR1SLC5A1SLC5A2PTGS1PTGS2
SCHEMBL20973256 0.82 CES1 (0.49) FFAR1PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL31402812 0.78 F2RL1 (0.53) MAOBTAAR1FFAR1SLC5A1SLC5A2
SCHEMBL13349456 0.75 TAAR1 (0.52) MAOBAOC3AOC2MAOATAAR1
SCHEMBL12327373 0.75 AOC3 (0.47) MAOBAOC3AOC2MAOATAAR1
SCHEMBL16795674 0.75 MAOB (0.47) MAOBAOC3AOC2MAOATAAR1
Trifluoroacetic Acid SCHEMBL7394332 0.74 FFAR1 (0.69) FFAR1SLC5A1SLC5A2PLAAT3PLAAT5
SCHEMBL22072542 0.73 BACE1 (0.37) FFAR1
SCHEMBL1154606 0.71 FFAR1 (0.55) MAOBAOC3AOC2MAOATAAR1
SCHEMBL24242005 0.71 HPGD (0.51) MAOBAOC3AOC2MAOATAAR1

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
CN-119751412-A Synthesis method of 4-trifluoromethyl thiophene compound 河南大学 2025-04-04 CN disclosed