SCHEMBL30021329

SCHEMBL30021329

CCc1ccccc1-c1ncccc1-c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.53
▸ PTGS1 P23219 1/20 0.53
▸ PTPRC P08575 2/20 0.46
▸ CTSL P07711 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ PTPN13 Q12923 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ DPP4 P27487 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ TDP2 O95551 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ ABL1 P00519 1/20 0.41
▸ PLCG1 P19174 1/20 0.41
▸ CES1 P23141 1/20 0.41
▸ PAX8 Q06710 1/20 0.41
▸ RIN1 Q13671 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ THRB P10828 1/20 0.41

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
SCHEMBL30302740 0.98 PTGS2 (0.51) PTGS2PTGS1PTPRCCTSLCTSS
SCHEMBL30021377 0.86 PTGS2 (0.47) PTGS2PTGS1PTPRCCTSLCTSS
SCHEMBL30022309 0.82 KCNA5 (0.47) PTGS2PTGS1PTPRCCTSLCTSS
SCHEMBL21973538 0.82 PTGS1 (0.46) PTGS2PTGS1ALDH1A1HTTHSD17B10
SCHEMBL13869175 0.82 PTGS1 (0.46) PTGS2PTGS1ALDH1A1HTTHSD17B10
SCHEMBL29985863 0.81 PTGS2 (0.44) PTGS2PTGS1PTPRCCTSLCTSS
SCHEMBL23585490 0.81 ADRA1A (0.44) PTPRCCTSLCTSSPTPN13DPP4
Alcohol SCHEMBL10895530 0.80 PTGS2 (0.61) PTGS2PTGS1PTPRCCTSLCTSS
SCHEMBL12854121 0.79 PTPRC (0.57) PTGS2PTGS1PTPRCCTSLCTSS
SCHEMBL7647031 0.79 PTGS2 (0.58) PTGS2PTGS1PTPRCCTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023063163-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT, PRODUCTION METHOD THEREFOR, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING SAID MIXED POWDER, METHOD FOR SELECTING COMPOUND IN SAID MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2023-04-20 — — WO disclosed
WO-2022270430-A1 MIXED POWDER, MIXTURE, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 2022-12-29 — — WO disclosed
WO-2022270423-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 — — WO disclosed
WO-2022270428-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 — — WO disclosed
WO-2022244864-A1 MIXED POWDER, VAPOR DEPOSITION METHOD FOR ORGANIC COMPOUND, METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR SELECTING ORGANIC COMPOUND, AND VAPOR DEPOSITION METHOD 出光興産株式会社 2022-11-24 — — WO disclosed
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