SCHEMBL28837652

SCHEMBL28837652

COc1ccc(SC2COC(=O)O2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.44
CRBN Q96SW2 2/20 0.44
CLK1 P49759 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
CYP19A1 P11511 3/20 0.37
MAOB P27338 2/20 0.37
CYP3A4 P08684 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
GRM2 Q14416 1/20 0.35
KCNH2 Q12809 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
DAO P14920 1/20 0.35
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA12 O43570 1/20 0.34

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
SCHEMBL5959243 0.72 MAOB (0.49) CYP19A1MAOBCYP3A4NPC1RAB9A
SCHEMBL5856107 0.70 CYP19A1 (0.59) DDB1CRBNCYP19A1MAOBCYP3A4
SCHEMBL9840378 0.69 PKM (0.55) CYP3A4GRM2HPGD
SCHEMBL1186647 0.66 DDB1 (0.51) DDB1CRBNMAOBCA12CA1
SCHEMBL8442975 0.66 CRBN (0.55) DDB1CRBNRAB9ADAOCA12
SCHEMBL12451947 0.66
SCHEMBL8428152 0.64 MAOA (0.50) DDB1CRBNMAOBNPC1RAB9A
SCHEMBL8442255 0.64 DDB1 (0.49) DDB1CRBNMAOBNPC1RAB9A
SCHEMBL17374509 0.64 DDB1 (0.45) DDB1CRBNSMN1; SMN2CA12CA1
SCHEMBL7903094 0.63 DDB1 (0.36) DDB1CRBNMAOB

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-103764708-B Photopolymerizable composition, photopolymerizable coating agent, laminate, and polarizing plate 东洋油墨SC控股株式会社 2016-12-14 CN disclosed