SCHEMBL8932145

SCHEMBL8932145

CCCCC[C@H](C)C(F)OS(=O)(=O)c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
NPSR1 Q6W5P4 4/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 2/20 0.35
MCOLN3 Q8TDD5 2/20 0.35
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP3A4 P08684 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
ESR1 P03372 2/20 0.33
ESR2 Q92731 2/20 0.33
GAA P10253 1/20 0.33
HSD11B1 P28845 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL9799625 0.82 ALDH1A1 (0.43) ALDH1A1NPSR1MAPTLMNAMCOLN3
SCHEMBL10796867 0.82 ALDH1A1 (0.43) ALDH1A1NPSR1MAPTLMNAMCOLN3
SCHEMBL10751931 0.80 ALDH1A1 (0.37) ALDH1A1NPSR1MAPTLMNAMCOLN3
SCHEMBL9448466 0.77 ALDH1A1 (0.37) ALDH1A1NPSR1MAPTLMNAMCOLN3
SCHEMBL28617243 0.77 ALDH1A1 (0.42) ALDH1A1NPSR1LMNAMCOLN3CYP1A2
SCHEMBL9040122 0.75 MEN1 (0.42) ALDH1A1NPSR1LMNAMCOLN3CYP1A2
SCHEMBL28673139 0.74 TDP1 (0.40) ALDH1A1NPSR1LMNACYP1A2CYP2C9
SCHEMBL7066099 0.74 MEN1 (0.38) ALDH1A1NPSR1MAPTLMNAMCOLN3
SCHEMBL10950989 0.72 ALDH1A1 (0.49) ALDH1A1NPSR1MAPTLMNAMCOLN3
Potassium SCHEMBL10863302 0.72 CA1 (0.43) ALDH1A1NPSR1MAPTLMNAMCOLN3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5585036-A Liquid crystal compounds containing chiral 2-halo-2-methyl ether and ester tails DISPLAYTECH, INC. (US) 1996-12-17 US disclosed
US-5453218-A Ferroelectricity; electrooptics; surface stabilized; polarization density DISPLAYTECH, INC. (US) 1995-09-26 US disclosed