SCHEMBL6640692

SCHEMBL6640692

COc1cc(OC)c(NC(=O)c2ccc(Oc3ccc(OC)c(OC)c3)o2)c(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 1/20 0.52
GNRHR P30968 1/20 0.52
GPR183 P32249 1/20 0.52
GPR119 Q8TDV5 1/20 0.52
S1PR4 O95977 3/20 0.45
KCNH2 Q12809 1/20 0.44
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
TP53 P04637 3/20 0.43
MAPT P10636 5/20 0.42

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
SCHEMBL6642036 0.89 FPR1 (0.51) FPR1GNRHRGPR183GPR119S1PR4
SCHEMBL6642600 0.89 FPR1 (0.48) FPR1GNRHRGPR183GPR119S1PR4
SCHEMBL6667891 0.87 FPR1 (0.52) FPR1GNRHRGPR183GPR119ALDH1A1
SCHEMBL6670600 0.86 MAPT (0.50) FPR1GNRHRGPR183GPR119ALDH1A1
SCHEMBL6679959 0.86 ALDH1A1 (0.60) FPR1GNRHRGPR183GPR119S1PR4
SCHEMBL6638649 0.86 GNRHR (0.63) FPR1GNRHRGPR183GPR119S1PR4
SCHEMBL6670469 0.86 FPR1 (0.51) FPR1GNRHRGPR183GPR119ALDH1A1
SCHEMBL6642691 0.86 FPR1 (0.48) FPR1GNRHRGPR183GPR119S1PR4
SCHEMBL6666570 0.85 FPR1 (0.55) FPR1GNRHRGPR183GPR119S1PR4
SCHEMBL4858943 0.85 FPR1 (0.46) FPR1GNRHRGPR183GPR119S1PR4

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
EP-1401427-A4 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM AGOURON PHARMA (US) 2004-12-01 EP disclosed
EP-1401427-A2 NON-PEPTIDE GNRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM Agouron Pharmaceuticals, Inc. (US) 2004-03-31 EP disclosed
WO-2002098363-A2 NON-PEPTIDE GnRH AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THEIR USES, AND PROCESSES FOR PREPARING THEM AGOURON PHARMACEUTICALS, INC. (US) 2002-12-12 WO disclosed