SCHEMBL24409337

SCHEMBL24409337

CCOC(=O)CCc1cc(-c2ccccc2C)n(C)n1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 6/20 0.43
HSD17B10 Q99714 4/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
CYP4F2 P78329 2/20 0.43
CYP4A11 Q02928 2/20 0.43
PTPN1 P18031 2/20 0.41
NR1H4 Q96RI1 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALOX5 P09917 1/20 0.39
FABP3 P05413 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
SCHEMBL24408917 0.85 NR1H4 (0.54) LMNAALDH1A1HTTCYP4F2CYP4A11
SCHEMBL24425227 0.85 NR1H4 (0.56) NR1H4FABP3
SCHEMBL24419766 0.81 NR1H4 (0.50) LMNAALDH1A1HSD17B10CYP4F2CYP4A11
SCHEMBL24419429 0.81 ALDH1A1 (0.47) LMNAALDH1A1HSD17B10MAPTHTT
SCHEMBL24425243 0.80 LMNA (0.41) LMNAALDH1A1HSD17B10MAPTCYP4F2
SCHEMBL24419763 0.80 LMNA (0.45) LMNAALDH1A1MAPTCYP4F2CYP4A11
SCHEMBL24408958 0.80 LMNA (0.48) LMNAALDH1A1HSD17B10MAPTCYP4F2
SCHEMBL24419812 0.78 LMNA (0.40) LMNAALDH1A1HSD17B10MAPTCYP4F2
SCHEMBL24425000 0.78 ALDH1A1 (0.47) LMNAALDH1A1HSD17B10MAPTHTT
SCHEMBL24409133 0.77 NR1H4 (0.44) LMNAALDH1A1HSD17B10MAPTCYP4F2

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
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