SCHEMBL9170245

SCHEMBL9170245

CCCCCCCCCCCCCCCCCCOc1cc(OCCCOc2ccc(C(C)(C)C)cc2)cc(N(CC(=O)OC)CC(=O)OC)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.58
BLM P54132 1/20 0.58
PLA2G4B P0C869 2/20 0.44
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
RARB P10826 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
NR5A1 Q13285 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL9163047 0.89 PLA2G2A (0.75) PLA2G2ABLMPLA2G4BTP53TSHR
SCHEMBL9168532 0.87 PLA2G2A (0.74) PLA2G2ABLMTP53TSHRMEN1
SCHEMBL9165261 0.84 PLA2G2A (0.57) PLA2G2ABLMPLA2G4BTP53TSHR
SCHEMBL9169153 0.83 PLA2G2A (0.56) PLA2G2ABLMPLA2G4BTP53TSHR
SCHEMBL9171634 0.83 PLA2G2A (0.85) PLA2G2ABLMPLA2G4BTP53TSHR
SCHEMBL9171261 0.83 PLA2G2A (0.64) PLA2G2ABLMCNR1CNR2
SCHEMBL9167296 0.83 PLA2G2A (0.64) PLA2G2ABLMCNR1CNR2
SCHEMBL9168070 0.82 PLA2G2A (0.66) PLA2G2ABLMPPARGPPARACNR1
SCHEMBL9169041 0.80 PLA2G2A (0.59) PLA2G2ABLMALDH1A1
SCHEMBL9172120 0.80 PLA2G2A (0.63) PLA2G2ABLMMEN1ALDH1A1KMT2A

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