SCHEMBL28709109

SCHEMBL28709109

CCOc1c(C(C)=O)ccc(OCc2ccccc2)c1C

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
CYP2C9 P11712 1/20 0.69
CYP2C19 P33261 1/20 0.69
SMN1; SMN2 Q16637 1/20 0.69
MAOB P27338 2/20 0.50
PTPN1 P18031 1/20 0.50
MAPK1 P28482 1/20 0.50
CA9 Q16790 1/20 0.47
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
PTGER1 P34995 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
BRD4 O60885 1/20 0.45
FFAR4 Q5NUL3 1/20 0.44
SGMS2 Q8NHU3 1/20 0.44

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
SCHEMBL7855165 0.88 MAPT (0.71) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL29633530 0.82 MAPT (1.00) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL701961 0.82 MAPT (1.00) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL26021326 0.81 MAPT (0.65) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL9540402 0.80 L3MBTL1 (0.67) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL18066378 0.78 PTPN1 (0.76) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL21436903 0.78 L3MBTL1 (0.58) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL12231213 0.78 MAPT (0.60) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL9679320 0.78 MAPT (0.60) MAPTTDP1L3MBTL1CYP2C9CYP2C19
SCHEMBL29466867 0.78 MAOB (0.68) MAPTTDP1L3MBTL1CYP2C9CYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119823001-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-15 CN disclosed
CN-114206832-B Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2025-04-04 CN disclosed
CN-114206832-A Urea compounds antagonizing LPA1 receptor 大正制药株式会社 2022-03-18 CN disclosed