SCHEMBL14766010

SCHEMBL14766010

CCOc1ccc(-c2ccc(C(=O)Oc3ccc(-c4ccc(OC)cc4)c(F)c3F)cc2)c(F)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
THRB P10828 3/20 0.50
TP53 P04637 3/20 0.47
KMT2A Q03164 4/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
ALOX12 P18054 1/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
BACE1 P56817 1/20 0.41
SYK P43405 1/20 0.41
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL12823467 1.00 MAPT (0.50) MAPTTHRBTP53KMT2AL3MBTL1
SCHEMBL14766407 0.93 MAPT (0.48) MAPTTHRBTP53KMT2ANPC1
SCHEMBL14767194 0.93 MAPT (0.48) MAPTTHRBTP53KMT2ANPC1
SCHEMBL14766141 0.91 MAPT (0.50) MAPTTHRBTP53KMT2AL3MBTL1
SCHEMBL12823355 0.90 KMT2A (0.53) MAPTTHRBTP53KMT2AL3MBTL1
SCHEMBL12823189 0.90 KMT2A (0.53) MAPTTHRBTP53KMT2AL3MBTL1
SCHEMBL14766435 0.90 MAPT (0.48) MAPTTHRBTP53KMT2AL3MBTL1
SCHEMBL12742650 0.89 MAPT (0.40) MAPTTHRBTP53KMT2APOLB
SCHEMBL12737476 0.89 MAPT (0.40) MAPTTHRBTP53KMT2APOLB
SCHEMBL12822923 0.89 MAPT (0.49) MAPTTHRBTP53KMT2AL3MBTL1

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-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed