SCHEMBL24409332

SCHEMBL24409332

COC(=O)COc1cc(-c2ccccc2)n(C)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
MAPK1 P28482 1/20 0.49
KDM4E B2RXH2 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 2/20 0.48
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
FAAH O00519 2/20 0.45
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
PORCN Q9H237 1/20 0.42
GRM5 P41594 1/20 0.42
MME P08473 1/20 0.41
CNR2 P34972 1/20 0.41
LMNA P02545 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
SCHEMBL24409197 0.89 POLB (0.45) SMN1; SMN2MAPK1KDM4EKMT2AALDH1A1
SCHEMBL24409040 0.88 MAPT (0.49) SMN1; SMN2MAPK1KDM4EKMT2AALDH1A1
SCHEMBL24419433 0.88 SMN1; SMN2 (0.43) SMN1; SMN2MAPK1KDM4EKMT2AALDH1A1
SCHEMBL24409043 0.88 PTGS2 (0.46) SMN1; SMN2MAPK1MAPTMMP1MMP9
SCHEMBL24409308 0.87 PKM (0.56) SMN1; SMN2KDM4EKMT2AALDH1A1MEN1
SCHEMBL24409343 0.87 KDM4E (0.45) SMN1; SMN2MAPK1KDM4EKMT2AALDH1A1
SCHEMBL24425293 0.87 ALDH1A1 (0.51) SMN1; SMN2KDM4EKMT2AALDH1A1MAPT
SCHEMBL24409159 0.86 VEGFA (0.43) SMN1; SMN2MAPK1KDM4EKMT2AALDH1A1
SCHEMBL24408953 0.86 TSHR (0.50) SMN1; SMN2MAPK1KMT2AALDH1A1MAPT
SCHEMBL24419798 0.86 FYN (0.43) SMN1; SMN2MAPK1KDM4EALDH1A1MMP1

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