SCHEMBL24409059

SCHEMBL24409059

CCn1nc(OCC(=O)O)cc1-c1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ SMPD1 P17405 1/20 0.44
▸ PPARD Q03181 3/20 0.44
▸ PKM P14618 1/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ RPA1 P27694 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ HPGD P15428 2/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41

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
SCHEMBL24408940 0.87 MAPT (0.44) KDM4EALDH1A1GAAL3MBTL1SMPD1
SCHEMBL25396045 0.81 RPA1 (0.59) ALDH1A1LMNARPA1FABP3FABP4
SCHEMBL25395773 0.80 CCKAR (0.60) RPA1
SCHEMBL1739427 0.79 MARS1 (0.60) KDM4EALDH1A1GAAL3MBTL1SMPD1
SCHEMBL25398830 0.79 PTGS2 (0.53) RPA1MEN1KMT2APTGS2FABP3
SCHEMBL26909730 0.77 BCL2 (0.56) RPA1FABP3FABP4BCL2MDM2
SCHEMBL14505146 0.77 RPA1 (0.56) RPA1PTGS2FABP3FABP4BCL2
SCHEMBL24409050 0.74 LMNA (0.55) ALDH1A1PPARDPKMLMNAMAPT
SCHEMBL29074649 0.74 MDM2 (0.55) KDM4EALDH1A1RPA1MAPTHPGD
SCHEMBL24409308 0.73 PKM (0.56) KDM4EALDH1A1L3MBTL1PPARDPKM

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
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