SCHEMBL9170618

SCHEMBL9170618

CCCCCCCCCCCCCCCCCCOc1cc(C(=O)OC)cc(N(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.53
▸ BLM P54132 1/20 0.53
▸ CNR2 P34972 4/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CNR1 P21554 2/20 0.42
▸ SMPD1 P17405 4/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ PLA2G4B P0C869 2/20 0.40
▸ PLK1 P53350 1/20 0.39
▸ MAPT P10636 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
SCHEMBL9163857 0.90 PLA2G2A (0.65) PLA2G2ABLMCNR2CNR1L3MBTL1
SCHEMBL9163827 0.89 PLA2G2A (0.54) PLA2G2ABLMCNR2LMNACNR1
SCHEMBL9167589 0.87 PLA2G2A (0.57) PLA2G2ABLMCNR2CNR1
SCHEMBL9172248 0.87 PLA2G2A (0.61) PLA2G2ABLMCNR2CNR1PLA2G4B
SCHEMBL9165252 0.86 TSHR (0.51) PLA2G2ABLMCNR2LMNAL3MBTL1
SCHEMBL9164968 0.84 PLA2G2A (0.58) PLA2G2ABLMCNR2HPGDCNR1
SCHEMBL9172080 0.83 PLA2G2A (0.52) PLA2G2ABLMCNR2LMNAHPGD
SCHEMBL9172738 0.83 PLA2G2A (0.53) PLA2G2ABLMSMPD1PLA2G4B
SCHEMBL9170589 0.83 PLA2G2A (0.62) PLA2G2ABLMCNR2LMNACNR1
SCHEMBL9165939 0.83 PLA2G2A (0.76) PLA2G2ABLMSMPD1TSHRPLA2G4B

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
US-5446189-A Diester intermediates for diacid enzyme inhibitor HOFFMANN-LA ROCHE INC. (US) 1995-08-29 — — US disclosed
US-5324747-A Treatment of inflammatory diseases HOFFMANN-LA ROCHE INC. (US) 1994-06-28 — — US disclosed
EP-0579066-A2 N-substituted anilines F. HOFFMANN-LA ROCHE AG (CH) 1994-01-19 — — EP disclosed
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