SCHEMBL24409015

SCHEMBL24409015

Cn1nc(OCC(=O)O)cc1-c1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
HTT P42858 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
FFAR1 O14842 1/20 0.39
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FABP4 P15090 3/20 0.38
FABP3 P05413 1/20 0.38
F2 P00734 1/20 0.38
LTB4R Q15722 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
SCHEMBL24408936 0.88 SMN1; SMN2 (0.44) PKMHCRTR1HCRTR2ALDH1A1KDM4E
SCHEMBL24425289 0.86 PKM (0.52) PKMALDH1A1KDM4EALOX5APFEN1
SCHEMBL24409204 0.86 PKM (0.52) PKMHTTALDH1A1FABP4FABP3
SCHEMBL24409018 0.86 PKM (0.51) PKMHTTALDH1A1KDM4EFFAR1
SCHEMBL24409164 0.85 ALDH1A1 (0.45) PKMALDH1A1KDM4ETP53MAPT
SCHEMBL24425100 0.85 PKM (0.50) PKMHTTALDH1A1MAPTMEN1
SCHEMBL24408997 0.85 PKM (0.50) PKMHTTRXFP1MEN1KMT2A
SCHEMBL24409170 0.84 PKM (0.50) PKMMAPTTSHR
SCHEMBL27114141 0.84 PKM (0.50) PKMHTTALDH1A1TSHR
SCHEMBL27114169 0.82 PKM (0.51) PKMHTTHCRTR1HCRTR2ALDH1A1

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