SCHEMBL8945026

SCHEMBL8945026

C=CCOc1ccc(-c2ccc(-c3ccc(-c4ccc(CCCCC)cn4)c(F)c3)cc2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CASP3 P42574 2/20 0.42
SENP8 Q96LD8 2/20 0.42
SENP7 Q9BQF6 2/20 0.42
SENP6 Q9GZR1 2/20 0.42
NPC1 O15118 8/20 0.40
SMN1; SMN2 Q16637 8/20 0.40
STAT3 P40763 1/20 0.40
ATM Q13315 1/20 0.40
NFKB1 P19838 4/20 0.39
NFKB2 Q00653 4/20 0.39
RELA Q04206 4/20 0.39
MAPK1 P28482 2/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL8942564 0.92 RAB9A (0.49) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8945787 0.89 RARB (0.39) RAB9AMAPTL3MBTL1CASP3SENP8
SCHEMBL8946222 0.84 RARB (0.40) RAB9AMAPTL3MBTL1ALDH1A1RARB
SCHEMBL8945456 0.83 RARB (0.36) POLBKDM4EALDH1A1RARBRARA
SCHEMBL8945540 0.83 RARB (0.36) ALDH1A1RARBRARARARGLTA4H
SCHEMBL12999970 0.82 FEN1 (0.35) ALOX5APFEN1
SCHEMBL8942430 0.79 CNR2 (0.39) RAB9AMAPTL3MBTL1ALDH1A1RARB
SCHEMBL2855559 0.79 RARB (0.52) RAB9AMAPTL3MBTL1SMN1; SMN2MAPK1
SCHEMBL8947367 0.78 LTA4H (0.38) MAPTALDH1A1RARBCNR2LTA4H
SCHEMBL8947357 0.77 RARB (0.35) POLBKDM4EALDH1A1RARBRARA

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-8187494-B2 Four- or five-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-05-29 US disclosed