SCHEMBL22471741

SCHEMBL22471741

[C]1=CC=C/C(=C\c2ccccc2)C1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
MIF P14174 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
F3 P13726 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
PIM1 P11309 1/20 0.31
PIM3 Q86V86 1/20 0.31
PIM2 Q9P1W9 1/20 0.31
HPGD P15428 2/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7173551 0.69
SCHEMBL6745371 0.68 ALDH1A1 (0.37) CYP1A2MIFMAOAMAOBF3
Methylamine SCHEMBL28226585 0.65 ALDH1A1 (0.35) CYP1A2F3ALDH1A1HTTPIM1
SCHEMBL28066368 0.65 CYP1A2 (0.44) CYP1A2MIFMAOAMAOBF3
SCHEMBL8401481 0.64 CYP1A2 (0.33) CYP1A2MIFMAOAMAOBF3
SCHEMBL11294752 0.63 CYP1A2 (0.43) CYP1A2MIFMAOBF3ALDH1A1
SCHEMBL6514388 0.61 ALDH1A1 (0.35) CYP1A2F3ALDH1A1HTTPIM1
SCHEMBL7029585 0.60 ALDH1A1 (0.40) CYP1A2MAOBF3ALDH1A1HTT
SCHEMBL29179077 0.60 PARP1 (0.39) CYP1A2MAOBF3ALDH1A1HTT
SCHEMBL31633218 0.59 CYP1A2 (0.48) CYP1A2MIFMAOAMAOBF3

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
WO-2020195549-A1 SUNSCREEN COSMETIC ジェイオーコスメティックス株式会社 2020-10-01 WO disclosed