SCHEMBL29664636

SCHEMBL29664636

COC(=O)C(CCC(=O)O)c1cccc(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.52
MTNR1B P49286 5/20 0.52
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 1/20 0.47
GLS O94925 1/20 0.46
KDM4E B2RXH2 1/20 0.46
HTR1A P08908 1/20 0.46
ADRA2A P08913 1/20 0.46
DRD1 P21728 1/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
CASR P41180 1/20 0.46
AOC3 Q16853 1/20 0.46

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
SCHEMBL23216480 1.00 MTNR1A (0.52) MTNR1AMTNR1BTDP1L3MBTL1LMNA
SCHEMBL28269689 0.89 MTNR1A (0.51) MTNR1AMTNR1BTDP1L3MBTL1LMNA
SCHEMBL28269690 0.89 MTNR1A (0.51) MTNR1AMTNR1BTDP1L3MBTL1LMNA
SCHEMBL7980726 0.84 KMT2A (0.55) LMNA
SCHEMBL7042372 0.83 MTNR1A (0.62) MTNR1AMTNR1BKDM4ECASR
SCHEMBL29664805 0.83 MTNR1A (0.44) MTNR1AMTNR1BL3MBTL1GLSKDM4E
SCHEMBL23216797 0.83 MTNR1A (0.44) MTNR1AMTNR1BL3MBTL1GLSKDM4E
SCHEMBL28577126 0.82 KDM4E (0.60) MTNR1AMTNR1BTDP1L3MBTL1GLS
SCHEMBL11436413 0.81 L3MBTL1 (0.62) MTNR1AMTNR1BTDP1L3MBTL1LMNA
SCHEMBL6301200 0.81 MTNR1A (0.67) MTNR1AMTNR1BTDP1L3MBTL1LMNA

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-114729044-A Muscarinic acetylcholine M1Receptor antagonists 帕珀莱恩医疗公司 2022-07-08 CN disclosed