SCHEMBL14767300

SCHEMBL14767300

C=CCCCOc1ccc(OC(=O)c2ccc(-c3ccc(-c4ccc(OCCCC)cc4)c(F)c3F)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
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
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL14767168 0.96 MAPT (0.42) ALDH1A1L3MBTL1MAPTKMT2APRSS1
SCHEMBL14767126 0.94 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTKMT2APRSS1
SCHEMBL14767234 0.93 ALDH1A1 (0.45) ALDH1A1L3MBTL1MAPTKMT2APRSS1
SCHEMBL14766452 0.93 RARB (0.42) ALDH1A1L3MBTL1MAPTKMT2APRSS1
SCHEMBL14766984 0.92 KMT2A (0.48) MAPTKMT2APRSS1ACRNPC1
SCHEMBL14767240 0.91 KMT2A (0.41) ALDH1A1L3MBTL1MAPTKMT2ANPC1
SCHEMBL12742759 0.91 L3MBTL1 (0.40) ALDH1A1L3MBTL1MAPTKMT2ANPC1
SCHEMBL14766622 0.91 ALDH1A1 (0.44) ALDH1A1L3MBTL1MAPTKMT2APRSS1
SCHEMBL14767083 0.91 PRSS1 (0.41) ALDH1A1L3MBTL1MAPTKMT2APRSS1
SCHEMBL14766362 0.90 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPTKMT2APRSS1

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