SCHEMBL8442891

SCHEMBL8442891

NCC(CCCCNCCO)c1ccc(O)c(O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 6/20 0.44
▸ MAPT P10636 5/20 0.44
▸ TDP1 Q9NUW8 5/20 0.44
▸ BLM P54132 4/20 0.44
▸ RECQL P46063 4/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ ADRA2B P18089 4/20 0.44
▸ ADRA2C P18825 4/20 0.44
▸ APEX1 P27695 3/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ ADRB1 P08588 3/20 0.44
▸ ADRA2A P08913 3/20 0.44
▸ ADORA3 P0DMS8 3/20 0.44
▸ DRD1 P21728 3/20 0.44
▸ ADRA1D P25100 3/20 0.44
▸ ADRA1A P35348 3/20 0.44
▸ PTGS2 P35354 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ HPGD P15428 2/20 0.44

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
SCHEMBL10739744 0.80 TDP1 (0.56) ADRB2MAPTTDP1BLMRECQL
SCHEMBL29196543 0.77 TDP1 (0.49) ADRB2MAPTTDP1BLMRECQL
SCHEMBL30918750 0.77 TDP1 (0.49) ADRB2MAPTTDP1BLMRECQL
SCHEMBL29196545 0.76 TDP1 (0.51) ADRB2MAPTTDP1BLMRECQL
SCHEMBL30918748 0.76 TDP1 (0.51) ADRB2MAPTTDP1BLMRECQL
SCHEMBL5553015 0.73 TDP1 (0.60) ADRB2MAPTTDP1BLMRECQL
SCHEMBL30918749 0.72 TDP1 (0.55) ADRB2MAPTTDP1BLMRECQL
SCHEMBL29196541 0.72 TDP1 (0.55) ADRB2MAPTTDP1BLMRECQL
SCHEMBL11646585 0.72 TDP1 (0.58) ADRB2MAPTTDP1BLMRECQL
SCHEMBL30918751 0.69 TDP1 (0.58) ADRB2MAPTTDP1BLMRECQL

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
US-5871771-A SOLUBILIZING WITH POLYLACTIDE, SOLVENT REMOVAL, JET GRINDING; TIME-RELEASE AGENTS; INHALANTS FOR ASTHMA BOEHRINGER INGELHEIM KG (DE) 1999-02-16 — — US disclosed
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