SCHEMBL8075795

SCHEMBL8075795

CCOCC(F)(F)C(F)(F)C(F)(F)COc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
NR5A1 Q13285 1/20 0.41
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
NQO1 P15559 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
APP P05067 1/20 0.36
MAOB P27338 1/20 0.35

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
SCHEMBL8074118 0.95 LTA4H (0.44) LTA4HNR5A1USP2MAPTTSHR
SCHEMBL8066041 0.87 CYP17A1 (0.41) LTA4HUSP2MAPTTSHRNPC1
SCHEMBL8066051 0.86 LTA4H (0.53) LTA4HNR5A1USP2MAPTTSHR
SCHEMBL9128186 0.84 MAPT (0.37) LTA4HUSP2MAPTTSHRNPC1
SCHEMBL8066044 0.83 LTA4H (0.49) LTA4HNR5A1CYP1A2CYP2C19ABCG2
SCHEMBL8075803 0.81 HDAC1 (0.43) LTA4HMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7561247 0.81 USP2 (0.43) LTA4HNR5A1USP2MAPTTSHR
SCHEMBL9230644 0.81 USP2 (0.33) USP2MAPTTSHRNQO1NPC1
SCHEMBL8615302 0.80 USP2 (0.46) LTA4HNR5A1USP2MAPTTSHR
SCHEMBL1237147 0.78 USP2 (0.48) LTA4HNR5A1USP2MAPTTSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0646636-B1 Liquid crystal compounds having a fluoroether terminal portion MINNESOTA MINING & MFG (US) 2000-08-23 EP disclosed
EP-0646636-A1 Liquid crystal compounds having a fluoroether terminal portion MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-04-05 EP disclosed
US-5399291-A Liquid crystal compounds having a fluoroether terminal portion MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-03-21 US disclosed