SCHEMBL4329911

SCHEMBL4329911

CC(C)OC(Cc1cn(C)c2ccc(OCC(O)COc3ccc(Cl)cc3)cc12)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 1/20 0.44
PPARG P37231 5/20 0.40
PPARA Q07869 5/20 0.40
CYP1A2 P05177 1/20 0.40
PPARD Q03181 1/20 0.40
ADA P00813 1/20 0.39
LMNA P02545 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
AKR1C3 P42330 3/20 0.39
AKR1C2 P52895 2/20 0.39
AKR1C4 P17516 1/20 0.39
PTGS1 P23219 1/20 0.39
ADRB2 P07550 1/20 0.38
MTNR1A P48039 4/20 0.37
MTNR1B P49286 4/20 0.37
MCL1 Q07820 1/20 0.37
NQO2 P16083 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
SCHEMBL4342749 0.92 PLA2G4A (0.42) PLA2G4APPARGPPARAPPARDLMNA
SCHEMBL4341174 0.92 PPARG (0.38) PLA2G4APPARGPPARAADALMNA
SCHEMBL4337058 0.91 PLA2G4A (0.41) PLA2G4APPARGPPARACYP1A2PPARD
SCHEMBL4343659 0.91 PLA2G4A (0.41) PLA2G4APPARGPPARACYP1A2ADA
SCHEMBL4335047 0.91 PLA2G4A (0.38) PLA2G4APPARGPPARAADAADRB2
SCHEMBL13819541 0.89 PLA2G4A (0.36) PLA2G4ACYP1A2ADALMNAHSP90AA1
SCHEMBL4331747 0.89 PPARG (0.42) PLA2G4APPARGPPARAPPARDLMNA
SCHEMBL4328073 0.88 PLA2G4A (0.38) PLA2G4AADALMNAHSP90AA1HTT
SCHEMBL4339112 0.87 MRGPRX4 (0.36) PLA2G4AMTNR1AMTNR1BMCL1NQO2
SCHEMBL4341738 0.85 KMT2A (0.39) PPARGPPARAADALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100522944-C Carboxylic acid derivatives and salts thereof EISAI CO LTD (JP) 2009-08-05 CN disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
CN-1503774-A Carboxylic acid derivatives and salts thereof ������������ʽ���� 2004-06-09 CN disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP disclosed