SCHEMBL20879355

SCHEMBL20879355

C/C=C(/CN)c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
HPGD P15428 2/20 0.40
ERCC5 P28715 1/20 0.39
FEN1 P39748 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
AOC2 O75106 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL10723513 0.84 MAOB (0.46) MAOAMAOBAOC2
SCHEMBL14467244 0.81 CHRM1 (0.38) MAOAMAOBHPGDERCC5FEN1
SCHEMBL13957399 0.81 HPGD (0.41) MAOAMAOBHPGDERCC5FEN1
SCHEMBL18508975 0.81 HPGD (0.41) MAOAMAOBHPGDERCC5FEN1
SCHEMBL22794240 0.80 MAOA (0.37) MAOAMAOBHPGDERCC5FEN1
SCHEMBL13963503 0.77 MAOA (0.40) MAOAMAOBHPGDERCC5FEN1
SCHEMBL15624352 0.76 GABRA1 (0.39)
SCHEMBL22850233 0.76 HPGD (0.42) HPGDERCC5FEN1SMN1; SMN2
SCHEMBL18087752 0.75 HDAC1 (0.37)
SCHEMBL15678965 0.75 HPGD (0.53) HPGDERCC5FEN1SMN1; SMN2

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-3233798-B1 USE OF ESTER DERIVATIVE OF TRYPTOPHAN AS DEODORANT AND/OR PERFUME AGENT OREAL (FR) 2019-04-10 EP disclosed