SCHEMBL14767168

SCHEMBL14767168

C=CCCOc1ccc(OC(=O)c2ccc(-c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
KMT2A Q03164 2/20 0.42
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
NPC1 O15118 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
PTPN11 Q06124 1/20 0.39
FAAH O00519 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
THRA P10827 1/20 0.38

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
SCHEMBL14767300 0.96 ALDH1A1 (0.44) MAPTKMT2APRSS1ACRNPC1
SCHEMBL14767083 0.94 PRSS1 (0.41) MAPTKMT2APRSS1ACRNPC1
SCHEMBL14767240 0.93 KMT2A (0.41) MAPTKMT2ANPC1SMN1; SMN2ALDH1A1
SCHEMBL14767225 0.93 FAAH (0.44) MAPTKMT2APRSS1ACRNPC1
SCHEMBL14766984 0.92 KMT2A (0.48) MAPTKMT2APRSS1ACRNPC1
SCHEMBL14766408 0.92 RARB (0.42) MAPTKMT2APRSS1ACRNPC1
SCHEMBL14767126 0.91 ALDH1A1 (0.44) MAPTKMT2APRSS1ACRNPC1
SCHEMBL12742756 0.90 KMT2A (0.37) MAPTKMT2APRSS1ACRNPC1
SCHEMBL14767108 0.90 MAPT (0.46) MAPTKMT2APRSS1ACRNPC1
SCHEMBL14766899 0.90 S1PR1 (0.43) MAPTKMT2APRSS1ACRNPC1

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