SCHEMBL6322991

SCHEMBL6322991

CC(C)(C)C(CC(=O)c1ccc(OCc2c(F)cccc2F)cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.42
GRM5 P41594 1/20 0.41
ALKBH1 Q13686 1/20 0.40
PARP15 Q460N3 1/20 0.40
PARP14 Q460N5 1/20 0.40
PARP10 Q53GL7 1/20 0.40
NR4A2 P43354 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ANO1 Q5XXA6 2/20 0.38

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
SCHEMBL27750738 0.84 MAOB (0.45) MAOBALKBH1PARP15PARP14PARP10
SCHEMBL27594863 0.83 MAOB (0.47) MAOBALKBH1PARP15PARP14PARP10
SCHEMBL2087206 0.83 MAOB (0.47) MAOBALKBH1PARP15PARP14PARP10
SCHEMBL2641408 0.79 MEN1 (0.38) MAOBGRM5ALKBH1PARP15PARP14
SCHEMBL12934374 0.79 SMN1; SMN2 (0.43) MAOBALKBH1RAB9ASMN1; SMN2NPC1
SCHEMBL2087038 0.76 NR4A2 (0.61) MAOBALKBH1PARP15PARP14PARP10
SCHEMBL958298 0.76 NR4A2 (0.49) MAOBALKBH1PARP15PARP14PARP10
SCHEMBL2090015 0.75 GSK3B (0.50) MAOBALKBH1PARP15PARP14PARP10
SCHEMBL2086618 0.75 ALDH1A1 (0.40) MAOBGRM5ALKBH1PARP15PARP14
SCHEMBL6763543 0.75 ALDH1A1 (0.40) MAOBGRM5ALKBH1PARP15PARP14

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-6858602-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2005-02-22 US disclosed