SCHEMBL20005229

SCHEMBL20005229

CCCCSc1ccc(-c2cc(C)c(C#Cc3ccc(-c4ccc(-c5ccc(C)cc5F)cc4F)c(F)c3)cc2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLK1 P53350 2/20 0.31
XDH P47989 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
SCHEMBL20004784 0.88 ALDH1A1 (0.35) ARKDM4ENPC1ALDH1A1CYP1A2
SCHEMBL19999555 0.79 FFAR1 (0.34)
SCHEMBL20005232 0.79 FFAR4 (0.38) ARKDM4ENPC1ALDH1A1CYP1A2
SCHEMBL20006750 0.78 RARB (0.42) NPC1RAB9ASMN1; SMN2
SCHEMBL20005240 0.77 FFAR1 (0.33)
SCHEMBL20005213 0.77 FFAR1 (0.33)
SCHEMBL20005231 0.76 FFAR1 (0.34)
SCHEMBL19999625 0.75 FFAR1 (0.43)
SCHEMBL24717167 0.75 XDH (0.37) ARKDM4ENPC1ALDH1A1CYP1A2
SCHEMBL20005287 0.72 ESR1 (0.38)

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
EP-3299439-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2018-03-28 EP disclosed