SCHEMBL29601837

SCHEMBL29601837

CC(=O)OCC(CF)Oc1ccc(Br)cc1C(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.49
LRRK2 Q5S007 1/20 0.38
MAOA P21397 2/20 0.37
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CFD P00746 2/20 0.33
POLB P06746 1/20 0.33
HPGD P15428 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL22824017 1.00 PTGDR2 (0.49) PTGDR2LRRK2MAOAALDH1A1SMN1; SMN2
SCHEMBL29367739 1.00 PTGDR2 (0.49) PTGDR2LRRK2MAOAALDH1A1SMN1; SMN2
SCHEMBL29602040 0.89 PTGDR2 (0.38) PTGDR2LRRK2ALDH1A1SMN1; SMN2MEN1
SCHEMBL22823739 0.89 PTGDR2 (0.38) PTGDR2LRRK2ALDH1A1SMN1; SMN2MEN1
SCHEMBL22824021 0.85 PTGDR2 (0.52) PTGDR2LRRK2MAOAALDH1A1SMN1; SMN2
SCHEMBL29602362 0.85 PTGDR2 (0.52) PTGDR2LRRK2MAOAALDH1A1SMN1; SMN2
SCHEMBL22824018 0.81 PTGDR2 (0.42) PTGDR2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL28696816 0.81 PTGDR2 (0.42) PTGDR2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL29368651 0.81 PTGDR2 (0.42) PTGDR2ALDH1A1SMN1; SMN2MEN1TSHR
SCHEMBL22824019 0.81 PTGDR2 (0.46) PTGDR2LRRK2ALDH1A1SMN1; SMN2MAPT

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
EP-3986852-A1 COMPOUNDS FOR THE TREATMENT OF NEUROMUSCULAR DISORDERS NMD Pharma A/S (DK) 2022-04-27 EP disclosed