SCHEMBL30918748

SCHEMBL30918748

CCCCC(CN)c1ccc(O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 8/20 0.51
▸ RECQL P46063 7/20 0.51
▸ KDM4E B2RXH2 7/20 0.51
▸ MAPT P10636 6/20 0.51
▸ BLM P54132 5/20 0.51
▸ LMNA P02545 4/20 0.51
▸ APEX1 P27695 3/20 0.51
▸ MAPK1 P28482 3/20 0.51
▸ HPGD P15428 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ADRB2 P07550 2/20 0.51
▸ ADRB1 P08588 2/20 0.51
▸ ADRA2A P08913 2/20 0.51
▸ ADRA2B P18089 2/20 0.51
▸ ADRA2C P18825 2/20 0.51
▸ ADRA1D P25100 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ADORA3 P0DMS8 1/20 0.51
▸ ADRB3 P13945 1/20 0.51
▸ DRD2 P14416 1/20 0.51

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
SCHEMBL29196545 1.00 TDP1 (0.51) TDP1RECQLKDM4EMAPTBLM
SCHEMBL29196543 0.94 TDP1 (0.49) TDP1RECQLKDM4EMAPTBLM
SCHEMBL30918750 0.94 TDP1 (0.49) TDP1RECQLKDM4EMAPTBLM
SCHEMBL30918749 0.90 TDP1 (0.55) TDP1RECQLKDM4EMAPTBLM
SCHEMBL29196541 0.90 TDP1 (0.55) TDP1RECQLKDM4EMAPTBLM
SCHEMBL29196542 0.82 TDP1 (0.58) TDP1RECQLKDM4EMAPTBLM
SCHEMBL30918751 0.82 TDP1 (0.58) TDP1RECQLKDM4EMAPTBLM
SCHEMBL1964126 0.81 TDP1 (0.42) TDP1RECQLKDM4EMAPTBLM
SCHEMBL10739744 0.81 TDP1 (0.56) TDP1RECQLKDM4EMAPTBLM
SCHEMBL5323563 0.81 ESR1 (0.51) TDP1KDM4EMAPTLMNAAPEX1

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-117903072-A Dopa compound and preparation method and application thereof 深圳市松柏科工股份有限公司 2024-04-19 — — CN disclosed
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