SCHEMBL8935005

SCHEMBL8935005

CCCCCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)c(F)c4F)cc3)c(F)c2F)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
S1PR3 Q99500 1/20 0.30
RARB P10826 1/20 0.30

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
SCHEMBL8934910 0.99 GAA (0.35) GAAMAPTCTSLCTSSCTSK
SCHEMBL8962063 0.97 GAA (0.35) GAAMAPTCTSLCTSSCTSK
SCHEMBL8961904 0.96 GAA (0.33) GAAMAPTCTSLCTSSCTSK
SCHEMBL8934999 0.95 GAA (0.36) GAAMAPTMEN1KMT2ACYP3A4
SCHEMBL8934958 0.95 MAPT (0.36) GAAMAPTMEN1KMT2ACYP3A4
SCHEMBL8935010 0.95 MAPT (0.36) GAAMAPTMEN1KMT2ACYP3A4
SCHEMBL8934939 0.95 MAPT (0.36) GAAMAPTMEN1KMT2ACYP3A4
SCHEMBL8935012 0.95 MAPT (0.36) GAAMAPTMEN1KMT2ACYP3A4
SCHEMBL8935026 0.95 MAPT (0.36) GAAMAPTMEN1KMT2ACYP3A4
SCHEMBL8934962 0.95 MAPT (0.36) GAAMAPTMEN1KMT2ACYP3A4

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