SCHEMBL6193122

SCHEMBL6193122

COc1cc(OC)c(NC(=O)c2ccc(C(=O)c3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GNRHR P30968 3/20 0.70
▸ FPR1 P21462 1/20 0.70
▸ GPR183 P32249 1/20 0.70
▸ GPR119 Q8TDV5 1/20 0.70
▸ CYP26A1 O43174 2/20 0.45
▸ CYP26B1 Q9NR63 2/20 0.45
▸ RXRA P19793 9/20 0.45
▸ RXRB P28702 4/20 0.45
▸ RXRG P48443 4/20 0.45
▸ RARA P10276 1/20 0.45
▸ RARB P10826 1/20 0.45
▸ RARG P13631 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ MAPT P10636 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ S1PR4 O95977 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MEN1 O00255 1/20 0.41

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
SCHEMBL6667308 0.82 GNRHR (0.68) GNRHRFPR1GPR183GPR119CYP26A1
SCHEMBL31060713 0.82 GNRHR (1.00) GNRHRFPR1GPR183GPR119
SCHEMBL5834344 0.82 GNRHR (0.66) GNRHRFPR1GPR183GPR119CYP26A1
SCHEMBL208907 0.82 GNRHR (1.00) GNRHRFPR1GPR183GPR119
SCHEMBL6638649 0.80 GNRHR (0.63) GNRHRFPR1GPR183GPR119CYP26A1
SCHEMBL6672165 0.80 GNRHR (0.62) GNRHRFPR1GPR183GPR119RXRA
SCHEMBL6667334 0.79 GNRHR (0.61) GNRHRFPR1GPR183GPR119CYP26A1
SCHEMBL6640103 0.79 GNRHR (0.61) GNRHRFPR1GPR183GPR119CYP26A1
SCHEMBL6641037 0.78 GNRHR (0.62) GNRHRFPR1GPR183GPR119CYP26A1
SCHEMBL6669367 0.78 GNRHR (0.60) GNRHRFPR1GPR183GPR119RXRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105120-B1 NON-PEPTIDE GnRH AGENTS, METHODS AND INTERMEDIATES FOR THEIR PREPARATION AGOURON PHARMA (US) 2005-03-23 — — EP disclosed
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