SCHEMBL5834928

SCHEMBL5834928

C=C(C)c1cc(Cc2ccc(C(=O)Nc3c(OC)cc(OC)cc3OC)o2)c(C)cc1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 5/20 0.67
FPR1 P21462 1/20 0.67
GPR183 P32249 1/20 0.67
GPR119 Q8TDV5 1/20 0.67
ALDH1A1 P00352 4/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
S1PR4 O95977 3/20 0.42
MAPT P10636 6/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 3/20 0.40
S1PR2 O95136 1/20 0.39
KDM4E B2RXH2 4/20 0.39
GAA P10253 1/20 0.39
S1PR5 Q9H228 1/20 0.39
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C19 P33261 2/20 0.37
NPC1 O15118 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
SCHEMBL5835400 0.92 GNRHR (0.69) GNRHRFPR1GPR183GPR119ALDH1A1
SCHEMBL5835171 0.82 GNRHR (0.66) GNRHRFPR1GPR183GPR119ALDH1A1
SCHEMBL5705276 0.82 GNRHR (0.71) GNRHRFPR1GPR183GPR119ALDH1A1
SCHEMBL4860057 0.80 GNRHR (0.66) GNRHRFPR1GPR183GPR119ALDH1A1
SCHEMBL31060713 0.80 GNRHR (1.00) GNRHRFPR1GPR183GPR119
SCHEMBL208907 0.80 GNRHR (1.00) GNRHRFPR1GPR183GPR119
SCHEMBL5266205 0.80 GNRHR (0.71) GNRHRFPR1GPR183GPR119ALDH1A1
SCHEMBL14395921 0.80 GNRHR (0.65) GNRHRFPR1GPR183GPR119ALDH1A1
SCHEMBL5265064 0.78 GNRHR (0.68) GNRHRFPR1GPR183GPR119ALDH1A1
SCHEMBL5836279 0.78 GNRHR (0.58) GNRHRFPR1GPR183GPR119ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7101878-B1 Non-peptide GNRH agents, methods and intermediates for their preparation AGOURON PHARMACEUTICALS, INC. (US) 2006-09-05 US disclosed
EP-1105120-B1 NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AGOURON PHARMA (US) 2005-03-23 EP disclosed
EP-1105120-A4 NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AGOURON PHARMA (US) 2001-12-19 EP disclosed
EP-1105120-A2 NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 2001-06-13 EP disclosed
WO-2000020358-A2 NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AGOURON PHARMACEUTICALS, INC. (US) 2000-04-13 WO disclosed