SCHEMBL29368644

SCHEMBL29368644

CC(=O)c1cc(Br)ccc1O[C@@H](CF)COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
LRRK2 Q5S007 11/20 0.43
PTGER1 P34995 1/20 0.41
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 2/20 0.38
LMNA P02545 1/20 0.38
PTGES O14684 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL22824019 1.00 PTGDR2 (0.46) PTGDR2LRRK2PTGER1MAPTCYP2C9
SCHEMBL29602289 1.00 PTGDR2 (0.46) PTGDR2LRRK2PTGER1MAPTCYP2C9
SCHEMBL22823736 0.89 PTGER1 (0.40) LRRK2PTGER1SMN1; SMN2POLBLMNA
SCHEMBL28673201 0.89 PTGER1 (0.40) LRRK2PTGER1SMN1; SMN2POLBLMNA
SCHEMBL29368013 0.89 PTGER1 (0.40) LRRK2PTGER1SMN1; SMN2POLBLMNA
SCHEMBL31324222 0.85 MAOB (0.36) LRRK2MAPTCYP2C9CYP2C19SMN1; SMN2
SCHEMBL22824017 0.81 PTGDR2 (0.49) PTGDR2LRRK2MAPTCYP2C9CYP2C19
SCHEMBL29367739 0.81 PTGDR2 (0.49) PTGDR2LRRK2MAPTCYP2C9CYP2C19
SCHEMBL29601837 0.81 PTGDR2 (0.49) PTGDR2LRRK2MAPTCYP2C9CYP2C19
SCHEMBL22824021 0.80 PTGDR2 (0.52) PTGDR2LRRK2MAPTCYP2C9CYP2C19

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
CN-114008012-A Compounds for the treatment of neuromuscular disorders NMD制药股份公司 2022-02-01 CN disclosed