SCHEMBL24409043

SCHEMBL24409043

COC(=O)COc1cc(-c2ccc(Cl)cc2)n(C)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TACR2 P21452 1/20 0.44
TACR1 P25103 1/20 0.44
TACR3 P29371 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 1/20 0.43
GAA P10253 1/20 0.42
GFER P55789 1/20 0.42
LMNA P02545 1/20 0.41
EGLN1 Q9GZT9 1/20 0.41
MMP1 P03956 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MALT1 Q9UDY8 4/20 0.40
PTGDR Q13258 1/20 0.40

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
SCHEMBL24409332 0.88 SMN1; SMN2 (0.51) SMN1; SMN2MAPK1GAALMNAMMP1
SCHEMBL24409197 0.88 POLB (0.45) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL24409159 0.88 VEGFA (0.43) CYP1A2CYP3A4CYP2C9CYP2C19SMN1; SMN2
SCHEMBL24409325 0.87 KDM4E (0.50) CYP1A2CYP3A4CYP2D6CYP2C9TACR2
SCHEMBL24409040 0.87 MAPT (0.49) CYP1A2CYP2C9CYP2C19SMN1; SMN2MAPK1
SCHEMBL24419433 0.87 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1LMNAMMP1MMP9
SCHEMBL24409329 0.86 PKM (0.53) CYP1A2CYP3A4CYP2D6CYP2C9TACR2
SCHEMBL24419716 0.86 SMN1; SMN2 (0.41) PTGS2SMN1; SMN2MAPK1LMNAEGLN1
SCHEMBL24419714 0.85 PTGS2 (0.40) PTGS2SMN1; SMN2MAPK1GAAGFER
SCHEMBL27114147 0.85 LMNA (0.38) PTGS2CYP1A2CYP3A4CYP2D6CYP2C9

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
WO-2022096448-A1 [(5-PHENYL-5-HETEROARYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AS SAFENERS FOR THE PROTECTION OF USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 WO disclosed
WO-2022096450-A1 USE OF [(1,5-DIPHENYL-1H-PYRAZOL-3-YL)OXY] ACETIC ACID DERIVATIVES AND THEIR SALTS AND COMPOSITIONS CONTAINING THEM, FOR REDUCING PHYTOTOXIC EFFECTS OF AGROCHEMICALS, IN PARTICULAR OF HERBICIDES, IN USEFUL PLANTS AND CROP PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-05-12 WO disclosed