SCHEMBL11633334

SCHEMBL11633334

COOP(=O)(CC(=O)COc1cccc(C(F)(F)F)c1)OOC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.56
MRGPRX4 Q96LA9 1/20 0.47
MAOB P27338 2/20 0.46
AOC3 Q16853 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NR4A2 P43354 1/20 0.44
TP53 P04637 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL187207 0.90 KDM4E (0.59) KDM4EMRGPRX4MAOBAOC3ALDH1A1
SCHEMBL13641800 0.86 KDM4E (0.63) KDM4EMRGPRX4MAOBAOC3ALDH1A1
SCHEMBL12722064 0.84 KDM4E (0.57) KDM4EMRGPRX4MAOBAOC3ALDH1A1
SCHEMBL5575155 0.83 KDM4E (0.63) KDM4EMRGPRX4MAOBAOC3ALDH1A1
SCHEMBL187208 0.80 KDM4E (0.55) KDM4EMRGPRX4MAOBAOC3ALDH1A1
SCHEMBL8510279 0.79 KDM4E (0.63) KDM4EMRGPRX4MAOBAOC3ALDH1A1
SCHEMBL3149179 0.78 KDM4E (0.47) KDM4EMRGPRX4MAOBAOC3ALDH1A1
SCHEMBL10047170 0.77 KDM4E (0.61) KDM4EMRGPRX4MAOBAOC3ALDH1A1
SCHEMBL10015921 0.77 KDM4E (0.64) KDM4EMRGPRX4MAOBAOC3ALDH1A1
SCHEMBL585016 0.76 KDM4E (0.68) KDM4EMRGPRX4MAOBAOC3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4088779-A HYPOTENSIVE, ANTIFERTILITY CIBA-GEIGY CORPORATION (US) 1978-05-09 US disclosed
US-4062964-A PROSTAGLANDIN,A-(4-AMINOPHENYL)-A-LOWER ALKYL GLUTARIMIDES CIBA-GEIGY CORPORATION (US) 1977-12-13 US disclosed