SCHEMBL8424909

SCHEMBL8424909

Oc1ccc(-c2ncc(OCCCCc3ccccc3)cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.55
FFAR1 O14842 2/20 0.47
DPP4 P27487 1/20 0.46
FAAH O00519 1/20 0.45
PLA2G4B P0C869 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
ALKBH1 Q13686 1/20 0.44
ESR1 P03372 2/20 0.43
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL8773270 0.86 RARB (0.52) DPP4FAAHMEN1NPC1RAB9A
SCHEMBL8773140 0.83 RAB9A (0.62) NAAAFFAR1MEN1NPC1RAB9A
SCHEMBL8773241 0.83 RAB9A (0.62) NAAAFFAR1MEN1NPC1RAB9A
SCHEMBL8773173 0.83 RAB9A (0.62) NAAAFFAR1MEN1NPC1RAB9A
SCHEMBL8773112 0.83 RAB9A (0.62) NAAAFFAR1MEN1NPC1RAB9A
SCHEMBL6534698 0.83 CYP1A2 (0.62) MEN1NPC1RAB9AKMT2AALKBH1
SCHEMBL8773136 0.82 RAB9A (0.57) NAAAPLA2G4BMEN1NPC1RAB9A
SCHEMBL1837149 0.81 FFAR1 (0.66) FFAR1PLA2G4BNPC1RAB9AESR1
SCHEMBL1836368 0.80 FFAR1 (0.64) FFAR1PLA2G4BLMNACYP1A2PTGS1
SCHEMBL2091234 0.80 FFAR1 (0.64) FFAR1PLA2G4BLMNACYP1A2PTGS1

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-5928562-A HAVING EXTENDED HYDROCARBON ETHER GROUP ADJACENT TO A TERMINAL FLUOROALKYL OR FLUOROETHER GROUP; LOW VISCOSITY; HIGH SPEED RESPONSE; BRIGHTNESS; COMMPATIBILITY; DISPLAYS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-07-27 US disclosed