SCHEMBL8727008

SCHEMBL8727008

FC(F)(F)c1ccccc1CCCCOCCCCc1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.50
HDAC1 Q13547 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
GAA P10253 1/20 0.47
DAO P14920 1/20 0.42
SCN8A Q9UQD0 1/20 0.41
MAOB P27338 4/20 0.41
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ATM Q13315 1/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MAOA P21397 1/20 0.38
TACR1 P25103 1/20 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
SCHEMBL6002873 0.90 IDO1 (0.45) IDO1HDAC1HDAC8GAADAO
SCHEMBL2095031 0.86 IDO1 (0.45) IDO1HDAC1HDAC8GAADAO
SCHEMBL6001300 0.85 IDO1 (0.44) IDO1HDAC1HDAC8GAADAO
SCHEMBL2096583 0.83 IDO1 (0.45) IDO1HDAC1HDAC8GAADAO
SCHEMBL12016034 0.80 IDO1 (0.49) IDO1HDAC1HDAC8GAADAO
SCHEMBL17329111 0.80 IDO1 (0.59) IDO1HDAC1HDAC8DAOMAOB
SCHEMBL18378141 0.79 HDAC1 (0.54) IDO1HDAC1HDAC8GAADAO
SCHEMBL14402402 0.79 LIPG (0.50) IDO1HDAC1HDAC8GAADAO
SCHEMBL21312960 0.79 HDAC1 (0.50) IDO1HDAC1HDAC8GAADAO
SCHEMBL17861582 0.79 HDAC1 (0.50) IDO1HDAC1HDAC8GAADAO

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-5800624-A LIPOPHILIC POLYMER, HYDROPHOBIC PLASTICIZER, QUATERNARY AMMONIUM OR PHOSPHONIUM CARRIER UNIVERSITY OF NOTRE DAME (US) 1998-09-01 US disclosed