SCHEMBL20005232

SCHEMBL20005232

CCCCSc1ccc(-c2ccc(-c3cc(C)c(C#Cc4ccc5cc(OCC)ccc5c4)cc3F)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 3/20 0.38
FFAR1 O14842 2/20 0.38
AR P10275 2/20 0.33
HMOX1 P09601 1/20 0.32
MCL1 Q07820 1/20 0.32
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
XDH P47989 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
ACACB O00763 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
SCHEMBL19999503 0.85 FFAR4 (0.39) FFAR4FFAR1HMOX1KDM4ENPC1
SCHEMBL19999417 0.85 FFAR1 (0.39) FFAR4FFAR1HMOX1RAB9ARARB
SCHEMBL20005192 0.84 FFAR4 (0.40) FFAR4FFAR1HMOX1KDM4ENPC1
SCHEMBL20004784 0.83 ALDH1A1 (0.35) FFAR1ARKDM4ENPC1ALDH1A1
SCHEMBL19999626 0.80 FFAR1 (0.37) FFAR4FFAR1HMOX1RAB9AMAPT
SCHEMBL19999520 0.79 HMOX1 (0.38) FFAR4FFAR1HMOX1KDM4ENPC1
SCHEMBL20005229 0.79 AR (0.32) ARKDM4ENPC1ALDH1A1CYP1A2
SCHEMBL20005267 0.77 RARA (0.39) FFAR4FFAR1MCL1KDM4ENPC1
SCHEMBL20004894 0.77 RARA (0.39) FFAR4FFAR1MCL1KDM4ENPC1
SCHEMBL19999499 0.74 RARB (0.39) FFAR1MCL1ALDH1A1SMN1; SMN2RARA

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