SCHEMBL3745581

SCHEMBL3745581

O=C1c2ccc(OCCCCCC(F)(F)F)cc2C(=O)c2ccc(O)cc21

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.64
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
NPC1 O15118 1/20 0.64
ALDH1A1 P00352 1/20 0.64
GAA P10253 1/20 0.64
RAB9A P51151 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
MAOB P27338 4/20 0.55
ESR1 P03372 1/20 0.49
MAOA P21397 1/20 0.49
UGT1A1 P22309 1/20 0.49
ESR2 Q92731 1/20 0.49
POLB P06746 1/20 0.44
DNMT1 P26358 1/20 0.44
RAD52 P43351 1/20 0.44
MOGAT2 Q3SYC2 2/20 0.43
CYP2C9 P11712 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
SCHEMBL13952875 0.85 MAPT (0.66) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL12643745 0.84 MAPT (0.64) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL13159342 0.83 MAPT (0.68) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL26311954 0.79 MAPT (0.83) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL25245380 0.78 MAPT (0.68) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL3752417 0.74 MAOB (0.52) MAOBMAOA
SCHEMBL3735320 0.74 MAOB (0.53) MAOBMAOAMOGAT2
SCHEMBL3747899 0.74 XDH (0.63) MAOBMAOA
SCHEMBL918880 0.73 MAPT (0.69) MAPTKMT2AMEN1NPC1ALDH1A1
SCHEMBL7619627 0.73 MAPT (0.69) MAPTKMT2AMEN1NPC1ALDH1A1

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-7829578-B1 Aromatic ketones and uses thereof OREGON HEALTH & SCIENCE UNIVERSITY (US) 2010-11-09 US disclosed