SCHEMBL14767108

SCHEMBL14767108

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
PRSS1 P07477 1/20 0.45
ACR P10323 1/20 0.45
NPC1 O15118 2/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
PTPN11 Q06124 1/20 0.43
FAAH O00519 2/20 0.43
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
RARB P10826 4/20 0.42

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
SCHEMBL14766984 0.98 KMT2A (0.48) MAPTKMT2ASMN1; SMN2PRSS1ACR
SCHEMBL14767285 0.94 MAPT (0.46) MAPTKMT2ASMN1; SMN2PRSS1ACR
SCHEMBL14767080 0.94 MAPT (0.45) MAPTKMT2ASMN1; SMN2PRSS1ACR
SCHEMBL14767261 0.93 FAAH (0.48) MAPTKMT2ASMN1; SMN2PRSS1ACR
SCHEMBL12742744 0.92 KMT2A (0.44) MAPTKMT2ASMN1; SMN2PRSS1ACR
SCHEMBL14767277 0.91 PRSS1 (0.46) MAPTKMT2ASMN1; SMN2PRSS1ACR
SCHEMBL14766032 0.91 RARB (0.46) MAPTKMT2ASMN1; SMN2PRSS1ACR
SCHEMBL9405662 0.91 THRA (0.48) MAPTKMT2ASMN1; SMN2NPC1LMNA
SCHEMBL14767168 0.90 MAPT (0.42) MAPTKMT2ASMN1; SMN2PRSS1ACR
SCHEMBL14767300 0.90 ALDH1A1 (0.44) MAPTKMT2ASMN1; SMN2PRSS1ACR

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