SCHEMBL9019624

SCHEMBL9019624

Fc1cc(COC2CCCCC2)ccc1-c1ccc(-c2ccc(C3CO3)c(F)c2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.35
DRD4 P21917 8/20 0.34
SIGMAR1 Q99720 8/20 0.34
TMEM97 Q5BJF2 5/20 0.33
GPR84 Q9NQS5 3/20 0.33
GBA1 P04062 2/20 0.33
LCT P09848 2/20 0.33
UGCG Q16739 2/20 0.33
GBA2 Q9HCG7 2/20 0.33
DRD3 P35462 2/20 0.33
BRD4 O60885 1/20 0.33
MGAM O43451 1/20 0.33
SI P14410 1/20 0.33
DRD5 P21918 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CHKA P35790 1/20 0.32
NAAA Q02083 2/20 0.32

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
SCHEMBL10153192 0.82 RORC (0.35) APPBRD4CHKA
SCHEMBL13586444 0.80 BRD4 (0.36) DRD4SIGMAR1TMEM97BRD4ALOX5AP
SCHEMBL13586446 0.80 BRD4 (0.35) BRD4ALOX5APFEN1NAAA
SCHEMBL8970624 0.79 DRD4 (0.41) APPDRD4SIGMAR1TMEM97CHKA
SCHEMBL13586347 0.79 BRD4 (0.35) DRD4SIGMAR1TMEM97BRD4ALOX5AP
SCHEMBL12823814 0.79 NAAA (0.38) DRD4SIGMAR1TMEM97BRD4ALOX5AP
SCHEMBL12999862 0.78 APP (0.40) APP
SCHEMBL12907934 0.78 RARB (0.37) BRD4CHKA
SCHEMBL10164561 0.78 CYP3A4 (0.45) APPALOX5APFEN1
SCHEMBL12823495 0.76 BRD4 (0.34) APPDRD4SIGMAR1TMEM97BRD4

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