SCHEMBL23579530

SCHEMBL23579530

COCCOCc1cn(-c2cc3ccc(O)cc3oc2=O)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 3/20 0.47
▸ ADRA1A P35348 2/20 0.46
▸ ESRRB O95718 1/20 0.45
▸ ESRRA P11474 1/20 0.45
▸ CA12 O43570 3/20 0.44
▸ CA9 Q16790 3/20 0.44
▸ CA1 P00915 2/20 0.44
▸ HSD17B3 P37058 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.40
▸ MIF P14174 5/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ SIRT3 Q9NTG7 1/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.39
▸ PFKFB3 Q16875 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1B P35368 1/20 0.39

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
SCHEMBL19491276 0.82 ESRRB (0.47) APPADRA1AESRRBESRRACA12
SCHEMBL12444682 0.78 ESRRB (0.48) APPADRA1AESRRBESRRACA12
SCHEMBL17231342 0.76 APP (0.43) APPADRA1AESRRBESRRACA12
SCHEMBL21626070 0.76 APP (0.43) APPADRA1AESRRBESRRACA12
SCHEMBL21626064 0.76 ESRRB (0.44) APPADRA1AESRRBESRRACA12
SCHEMBL15782525 0.76 APP (0.43) APPADRA1AESRRBESRRACA12
SCHEMBL21626102 0.76 APP (0.43) APPADRA1AESRRBESRRACA12
SCHEMBL21626101 0.74 ADRA1A (0.42) APPADRA1AESRRBESRRACA12
SCHEMBL15782494 0.74 ADRA1A (0.42) APPADRA1AESRRBESRRACA12
SCHEMBL13315789 0.72 MIF (0.56) ADRA1AHSD17B3MIFMEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174690-A1 COMPOSITIONS AND METHODS FOR SINGLE-STEP MULTIPURPOSE SURFACE FUNCTIONALIZATION UNIV RUTGERS (US) 2023-06-08 — — US disclosed
US-20230174690-A1 COMPOSITIONS AND METHODS FOR SINGLE-STEP MULTIPURPOSE SURFACE FUNCTIONALIZATION UNIV RUTGERS (US) 2023-06-08 — — US disclosed
US-20230174690-A1 COMPOSITIONS AND METHODS FOR SINGLE-STEP MULTIPURPOSE SURFACE FUNCTIONALIZATION UNIV RUTGERS (US) 2023-06-08 — — US disclosed
WO-2021133579-A1 COMPOSITIONS AND METHODS FOR SINGLE-STEP MULTIPURPOSE SURFACE FUNCTIONALIZATION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2021-07-01 — — WO disclosed
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