SCHEMBL14531285

SCHEMBL14531285

CCCCOC(=O)COc1cccc2[nH]c(C)c(C(=O)C(N)=O)c12

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 13/20 0.47
▸ PLA2G1B P04054 8/20 0.47
▸ ALDH1A1 P00352 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PLA2G10 O15496 3/20 0.40
▸ PLA2G5 P39877 3/20 0.40
▸ PLA2G2E Q9NZK7 2/20 0.40
▸ MAPT P10636 2/20 0.38
▸ SLC2A1 P11166 1/20 0.38
▸ ATG4B Q9Y4P1 1/20 0.37
▸ PLA2G6 O60733 1/20 0.37
▸ PLA2G2C Q5R387 1/20 0.37
▸ PLA2G12B Q9BX93 1/20 0.37
▸ PLA2G12A Q9BZM1 1/20 0.37
▸ PLA2G2F Q9BZM2 1/20 0.37
▸ PLA2G3 Q9NZ20 1/20 0.37
▸ PLA2G2D Q9UNK4 1/20 0.37

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
SCHEMBL13485088 0.82 PLA2G2A (0.56) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL14339077 0.82 GRK6 (0.48) PLA2G2APLA2G1BALDH1A1TDP1PLA2G10
SCHEMBL13484713 0.82 PLA2G2A (0.42) PLA2G2APLA2G1BALDH1A1PLA2G10PLA2G5
SCHEMBL28108507 0.74 SLC2A1 (0.47) PLA2G2APLA2G1BTDP1MAPTSLC2A1
SCHEMBL13597693 0.72 MAPT (0.42) PLA2G2APLA2G1BALDH1A1TDP1PLA2G10
SCHEMBL14530122 0.72 DDB1 (0.40) PLA2G2APLA2G1BALDH1A1PLA2G10PLA2G5
SCHEMBL14531269 0.71 PLA2G2A (0.48) PLA2G2APLA2G1BPLA2G10PLA2G5PLA2G2E
SCHEMBL21381324 0.70 TDP1 (0.57) ALDH1A1TDP1L3MBTL1MAPT
SCHEMBL14514453 0.69 PLA2G2A (0.46) PLA2G2APLA2G1BTDP1PLA2G10PLA2G5
SCHEMBL14530080 0.69 PLA2G2A (0.46) PLA2G2AALDH1A1TDP1L3MBTL1MAPT

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
WO-2007056279-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS ILYPSA, INC. (US) 2007-05-18 — — WO disclosed
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