SCHEMBL28958197

SCHEMBL28958197

[CH2]c1c(Cl)ccc(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
SLC2A1 P11166 1/20 0.31

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
SCHEMBL693141 0.79 TP53 (0.32) TP53SLC2A1
SCHEMBL25374533 0.79 TNF (0.35) TP53SLC2A1
SCHEMBL693614 0.77 CES2 (0.36) CES2CES1
SCHEMBL1407058 0.75 HTR2A (0.39) CES1
SCHEMBL29751862 0.75 CES2 (0.40) TP53TAAR1CES2CES1SLC2A1
SCHEMBL1263943 0.75 CES2 (0.40) TP53TAAR1CES2CES1SLC2A1
SCHEMBL693432 0.74 CYP3A4 (0.35) TP53SLC2A1
SCHEMBL3960570 0.72 CES2 (0.33) CES2CES1
SCHEMBL1756509 0.72 CYP3A4 (0.38) TP53CES2CES1SLC2A1
SCHEMBL13755137 0.68 ALDH1A1 (0.36) TP53CES2CES1

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-115279359-A Novel thyromimetic agents 速通医疗公司 2022-11-01 CN disclosed