SCHEMBL7560178

SCHEMBL7560178

CCCCCCc1ccc2c(F)c(B(O)O)c(F)cc2c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.47
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
ALOX5 P09917 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
LIPG Q9Y5X9 7/20 0.44
LPL P06858 6/20 0.38
TRPV1 Q8NER1 1/20 0.38
MGLL Q99685 1/20 0.38
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL7558785 1.00 TYR (0.47) TYRCYP3A4MAPTMEN1TP53
SCHEMBL7557949 0.82 ALOX5 (0.54) TYRCYP3A4MAPTMEN1TP53
SCHEMBL9493209 0.81 LIPG (0.49) TYRCYP3A4MAPTMEN1TP53
SCHEMBL5722768 0.79 ALOX5 (0.54) TYRCYP3A4MAPTMEN1TP53
SCHEMBL5722737 0.78 TYR (0.35) TYRCYP3A4MAPTMEN1TP53
SCHEMBL7931977 0.77 LPL (0.47) CYP3A4TP53LIPGLPLTRPV1
SCHEMBL7920088 0.77 LPL (0.47) CYP3A4TP53LIPGLPLTRPV1
SCHEMBL7563652 0.74 ALOX5 (0.48) TYRCYP3A4MAPTMEN1TP53
SCHEMBL7557837 0.74 RARB (0.45) TYRCYP3A4MAPTMEN1TP53
SCHEMBL6291363 0.73 LIPG (0.59) TYRCYP3A4MAPTMEN1TP53

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
EP-0944565-B1 1,3,5-TRIFLUORONAPHTHALENE DERIVATIVES FOR LIQUID CRYSTALLINE MIXTURES AVENTIS RES & TECH GMBH & CO (DE) 2002-07-31 EP disclosed