SCHEMBL30620165

SCHEMBL30620165

CCCCCCOc1ccc(B(O)O)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.51
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
PLA2G4B P0C869 2/20 0.45
LTA4H P09960 2/20 0.45
CNR2 P34972 2/20 0.44
PDK2 Q15119 1/20 0.44
PTPN11 Q06124 1/20 0.44

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
SCHEMBL9493283 1.00 NR5A1 (0.51) NR5A1TSHRTP53PLA2G4BLTA4H
SCHEMBL8220604 1.00 NR5A1 (0.51) NR5A1TSHRTP53PLA2G4BLTA4H
SCHEMBL8209170 1.00 NR5A1 (0.51) NR5A1TSHRTP53PLA2G4BLTA4H
SCHEMBL6656507 1.00 NR5A1 (0.51) NR5A1TSHRTP53PLA2G4BLTA4H
SCHEMBL29955228 0.98 NR5A1 (0.49) NR5A1TSHRTP53PLA2G4BLTA4H
SCHEMBL6556182 0.98 NR5A1 (0.49) NR5A1TSHRTP53PLA2G4BLTA4H
SCHEMBL29955018 0.95 LTA4H (0.43) NR5A1LTA4HPDK2
SCHEMBL8405356 0.95 LTA4H (0.43) NR5A1LTA4HPDK2
SCHEMBL29953890 0.89 LTA4H (0.43) LTA4HPDK2
SCHEMBL6676037 0.88 RARB (0.53) NR5A1TSHRTP53PLA2G4BLTA4H

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117165305-B Negative liquid crystal compound and preparation method and application thereof 陕西师范大学 2025-05-16 CN disclosed
CN-117165305-A Negative liquid crystal compound and preparation method and application thereof 陕西师范大学 2023-12-05 CN disclosed