SCHEMBL28104564

SCHEMBL28104564

CN1CCc2cc(O)c(CCO)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ DRD2 P14416 5/20 0.34
▸ DRD4 P21917 2/20 0.34
▸ DRD3 P35462 2/20 0.34
▸ AR P10275 1/20 0.34
▸ DRD1 P21728 3/20 0.33
▸ DRD5 P21918 3/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ RAD52 P43351 2/20 0.32
▸ RECQL P46063 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ TDP1 Q9NUW8 2/20 0.32
▸ GAPDH P04406 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ BLM P54132 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL29803269 0.79 MAOA (0.47) MAOADRD2DRD4DRD3AR
SCHEMBL111786 0.79 MAOA (0.47) MAOADRD2DRD4DRD3AR
Bromide SCHEMBL4625297 0.77 DRD1 (0.47) MAOADRD2DRD4DRD3AR
SCHEMBL13957980 0.76 AR (0.40) MAOADRD2DRD4DRD3AR
SCHEMBL14473347 0.70 AR (0.38) ARMEN1RECQLKMT2ATDP1
SCHEMBL13252924 0.69 AR (0.38) DRD2DRD4DRD3ARMEN1
SCHEMBL16900582 0.68 ALDH1A1 (0.49) MAOADRD2DRD4DRD3DRD1
SCHEMBL2625780 0.67 AR (0.44) ARMEN1RECQLKMT2ATDP1
SCHEMBL14235439 0.66 MEN1 (0.40) ESR2MAOADRD2DRD4DRD1
SCHEMBL16687894 0.65 AR (0.41) ARMEN1RECQLKMT2ATDP1

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-103517703-B Stain and application thereof 天野酶制品株式会社 2016-11-09 — — CN claimed
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