SCHEMBL7469409

SCHEMBL7469409

O=C(O)Cc1ccc(OCBr)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.53
CA2 P00918 1/20 0.52
CAMK2A Q9UQM7 1/20 0.52
SRD5A2 P31213 2/20 0.51
PLA2G4B P0C869 1/20 0.50
AKR1B1 P15121 1/20 0.50
FFAR1 O14842 1/20 0.48
PTGS1 P23219 2/20 0.48
ABCC4 O15439 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
HTT P42858 1/20 0.48
TBXAS1 P24557 1/20 0.48
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
P4HTM Q9NXG6 1/20 0.47
RXRA P19793 1/20 0.46

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
SCHEMBL5108700 0.85 PLA2G4B (0.55) PPARDCA2CAMK2ASRD5A2PLA2G4B
SCHEMBL11683055 0.83 PLA2G4B (0.61) CA2CAMK2ASRD5A2PLA2G4BAKR1B1
SCHEMBL2763189 0.83 PLA2G4B (0.57) PPARDCA2CAMK2ASRD5A2PLA2G4B
SCHEMBL7750520 0.82 PLA2G4B (0.60) PPARDSRD5A2PLA2G4BFFAR1LMNA
SCHEMBL11155906 0.82 CA2 (0.54) PPARDCA2CAMK2ASRD5A2PLA2G4B
SCHEMBL11684213 0.82 PLA2G4B (0.69) CA2CAMK2APLA2G4BAKR1B1FFAR1
SCHEMBL9832704 0.82 ALOX15 (0.63) PPARDCA2CAMK2ASRD5A2PLA2G4B
SCHEMBL11351141 0.80 CA2 (0.52) PPARDCA2CAMK2ASRD5A2PLA2G4B
SCHEMBL11209134 0.80 CA2 (0.52) PPARDCA2CAMK2ASRD5A2PLA2G4B
SCHEMBL503308 0.80 PLA2G4B (0.58) CA2CAMK2APLA2G4BPOLBRXRA

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
EP-1077701-A4 ANTI-VIRAL COMPOUNDS LILLY CO ELI (US) 2002-03-20 EP disclosed
CN-1292697-A Anti-viral compound LILLY CO ELI (US) 2001-04-25 CN disclosed
EP-0661279-B1 Polyaminated ligands, metal complexes, process for their preparation and diagnostic and therapeutic applications GUERBET SA (FR) 2001-03-07 EP disclosed
EP-1077701-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 2001-02-28 EP disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed
EP-0661279-A1 Polyaminated ligands, metal complexes, process for their preparation and diagnostic and therapeutic applications GUERBET S.A. (FR) 1995-07-05 EP disclosed