SCHEMBL6582469

SCHEMBL6582469

COc1ccc(CC(=O)Nc2ccc(O)c(C(C)=O)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.66
▸ MAPT P10636 2/20 0.66
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ NLRP3 Q96P20 2/20 0.63
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ LMNA P02545 1/20 0.61
▸ RAB9A P51151 1/20 0.59
▸ CA12 O43570 1/20 0.58
▸ CA1 P00915 1/20 0.58
▸ CA2 P00918 1/20 0.58
▸ CA9 Q16790 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.57
▸ POLB P06746 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ TDP1 Q9NUW8 1/20 0.57
▸ KDM4C Q9H3R0 1/20 0.56
▸ ERCC1 P07992 1/20 0.54
▸ ERCC4 Q92889 1/20 0.54

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
SCHEMBL6577319 0.84 NLRP3 (0.59) ALDH1A1MAPTMEN1KMT2ANLRP3
SCHEMBL6580500 0.84 EPHX2 (0.57) ALDH1A1MAPTMEN1KMT2ANLRP3
SCHEMBL30034264 0.82 SMN1; SMN2 (0.88) ALDH1A1MAPTMEN1KMT2ANLRP3
SCHEMBL6580095 0.81 NPC1 (0.67) ALDH1A1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL11929757 0.78 NLRP3 (0.58) ALDH1A1MAPTMEN1KMT2ANLRP3
SCHEMBL6171606 0.78 L3MBTL1 (0.80) ALDH1A1MAPTMEN1KMT2ANLRP3
SCHEMBL15758638 0.77 SMN1; SMN2 (0.66) ALDH1A1MAPTMEN1KMT2ANLRP3
SCHEMBL29068283 0.77 NLRP3 (1.00) ALDH1A1MAPTNLRP3SMN1; SMN2LMNA
SCHEMBL3923158 0.76 SMN1; SMN2 (0.78) ALDH1A1MAPTMEN1KMT2ANLRP3
SCHEMBL13185621 0.76 SMN1; SMN2 (1.00) ALDH1A1MAPTMEN1KMT2ANLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 — — EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 — — US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 — — EP disclosed
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