SCHEMBL29601942

SCHEMBL29601942

CC(=O)c1cc(Br)c(F)cc1O[C@H](CO)CF

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.31
HTT P42858 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
SCHEMBL22823753 1.00 PTGDR2 (0.33) PTGDR2AAK1CYP3A4TSHRKMT2A
SCHEMBL29602355 0.87 HMGCR (0.35) AAK1
SCHEMBL22823745 0.87 HMGCR (0.35) AAK1
SCHEMBL28676314 0.87 HMGCR (0.35) AAK1
SCHEMBL22823752 0.86 PTGDR2 (0.32) PTGDR2AAK1CYP3A4TSHR
SCHEMBL29602017 0.86 PTGDR2 (0.32) PTGDR2AAK1CYP3A4TSHR
SCHEMBL29369380 0.86 PTGDR2 (0.32) PTGDR2AAK1CYP3A4TSHR
SCHEMBL31324223 0.85 PTGDR2 (0.36) PTGDR2AAK1CYP3A4TSHR
SCHEMBL22824021 0.80 PTGDR2 (0.52) PTGDR2CYP3A4KMT2AHTT
SCHEMBL29602362 0.80 PTGDR2 (0.52) PTGDR2CYP3A4KMT2AHTT

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-114008012-B Compounds for the treatment of neuromuscular disorders NMD制药股份公司 2025-02-25 CN disclosed
EP-3986852-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2022-04-27 EP disclosed