SCHEMBL22823752

SCHEMBL22823752

CC(=O)OC[C@H](CF)Oc1cc(F)c(Br)cc1C(C)=O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
PTPN1 P18031 2/20 0.31
PTPN2 P17706 1/20 0.31
PTPN11 Q06124 1/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 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
SCHEMBL29369380 1.00 PTGDR2 (0.32) PTGDR2AAK1PTPN1PTPN2PTPN11
SCHEMBL29602017 1.00 PTGDR2 (0.32) PTGDR2AAK1PTPN1PTPN2PTPN11
SCHEMBL22823744 0.89 HMGCR (0.30)
SCHEMBL29601805 0.89 HMGCR (0.30)
SCHEMBL29601942 0.86 PTGDR2 (0.33) PTGDR2AAK1CYP3A4TSHR
SCHEMBL22823753 0.86 PTGDR2 (0.33) PTGDR2AAK1CYP3A4TSHR
SCHEMBL22823755 0.82 AAK1 (0.34) AAK1
SCHEMBL29368018 0.82 AAK1 (0.34) AAK1
SCHEMBL28687061 0.82 AAK1 (0.34) AAK1
SCHEMBL31324223 0.81 PTGDR2 (0.36) PTGDR2AAK1CYP3A4TSHR

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
WO-2020254559-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD PHARMA A/S (DK) 2020-12-24 WO disclosed