SCHEMBL8042956

SCHEMBL8042956

C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.58
LMNA P02545 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 1/20 0.53
THRB P10828 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOB P27338 4/20 0.49
NFE2L2 Q16236 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
P4HB P07237 1/20 0.47
HSP90AA1 P07900 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CES2 O00748 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 1/20 0.46
MAOA P21397 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL5004361 1.00 AKR1C3 (0.58) AKR1C3LMNAMAPTHPGDTHRB
SCHEMBL30103346 0.85 AKR1C3 (0.59) AKR1C3LMNAMAPTHPGDHTT
SCHEMBL10747237 0.84 THRB (0.47) LMNAMAPTHPGDTHRBL3MBTL1
SCHEMBL9478264 0.84 THRB (0.47) LMNAMAPTHPGDTHRBL3MBTL1
SCHEMBL9478271 0.84 THRB (0.47) LMNAMAPTHPGDTHRBL3MBTL1
SCHEMBL5381429 0.83 MAOB (0.51) LMNAMAPTMAOBNFE2L2MEN1
SCHEMBL8746678 0.82 AKR1C3 (0.76) AKR1C3MEN1KMT2AHTTKDM4E
SCHEMBL8746676 0.82 AKR1C3 (0.76) AKR1C3MEN1KMT2AHTTKDM4E
SCHEMBL11865025 0.82 GLO1 (0.53) LMNAMAPTHPGDTHRBL3MBTL1
SCHEMBL700921 0.82 MAOB (0.50) LMNAMAPTMAOBNFE2L2MEN1

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
US-6025349-A ANTIARRHYTHMIC PROPERTIES, HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-15 US disclosed