SCHEMBL30933437

SCHEMBL30933437

CCCOc1cc(F)c(-c2cc(F)c(-c3cc(F)c(C#N)c(F)c3)c(F)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.39
TRPV4 Q9HBA0 1/20 0.38
KDM4E B2RXH2 2/20 0.35
KMT2A Q03164 2/20 0.35
FFAR1 O14842 2/20 0.35
MEN1 O00255 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAOB P27338 1/20 0.34
EGLN2 Q96KS0 3/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
PRKD3 O94806 1/20 0.33
MAP4K4 O95819 1/20 0.33
MAPK8 P45983 1/20 0.33
MAP4K2 Q12851 1/20 0.33
PKN2 Q16513 1/20 0.33

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
SCHEMBL30933448 0.91 MAPT (0.36) ALDH1A1MAPK1HSD17B10MAPTTRPV4
SCHEMBL30933449 0.91 MAPT (0.36) ALDH1A1MAPK1HSD17B10MAPTTRPV4
SCHEMBL25707182 0.90 TRPV4 (0.45) ALDH1A1MAPK1HSD17B10MAPTTRPV4
SCHEMBL14964550 0.89 RARB (0.45) ALDH1A1MAPK1HSD17B10MAPTKDM4E
SCHEMBL30933438 0.86 MAPT (0.42) ALDH1A1HSD17B10MAPTKDM4EKMT2A
SCHEMBL13049296 0.85 SQOR (0.39) MAPTTRPV4KDM4EFFAR1EGLN2
SCHEMBL14480467 0.81 RARA (0.45) ALDH1A1MAPK1HSD17B10MAPTKDM4E
SCHEMBL29225925 0.80 TRPV4 (0.37) ALDH1A1MAPK1HSD17B10MAPTTRPV4
SCHEMBL4552185 0.79 ALDH1A1 (0.32) ALDH1A1MAPK1HSD17B10MAPTKDM4E
SCHEMBL14964552 0.78 RARB (0.44) ALDH1A1MAPTKDM4EKMT2AFFAR1

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
CN-118109209-A High-birefringence ferroelectric liquid crystal molecule with rigid conjugated mesogen and blended high-birefringence ferroelectric liquid crystal material 华南理工大学 2024-05-31 CN disclosed