SCHEMBL24409308

SCHEMBL24409308

Cn1nc(OCC(=O)O)cc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.56
HTT P42858 1/20 0.47
FABP3 P05413 2/20 0.44
FABP4 P15090 2/20 0.44
NR1H4 Q96RI1 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
BCL2 P10415 1/20 0.42
MDM2 Q00987 1/20 0.42
MCL1 Q07820 1/20 0.42
ALOX15 P16050 1/20 0.42
PORCN Q9H237 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GRM5 P41594 1/20 0.41
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
TSHR P16473 1/20 0.41
ACACA Q13085 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
SCHEMBL24425297 0.90 PKM (0.55) PKMHTTFABP4NR1H4PTGDR2
SCHEMBL24409329 0.89 PKM (0.53) PKMFABP3FABP4NR1H4PTGDR2
SCHEMBL27114063 0.89 PKM (0.53) PKMHTTFABP3FABP4NR1H4
SCHEMBL24425229 0.89 PKM (0.57) PKMFABP3FABP4NR1H4PTGDR2
SCHEMBL24409116 0.88 PKM (0.50) PKMHTTFABP4PTGDR2ALDH1A1
SCHEMBL24409332 0.87 SMN1; SMN2 (0.51) PKMHTTMEN1KMT2APORCN
SCHEMBL24409198 0.87 PKM (0.52) PKMPTGDR2PPARD
SCHEMBL24425231 0.87 PKM (0.49) PKMFABP3FABP4PTGDR2PPARG
SCHEMBL27114058 0.87 PKM (0.49) PKMALDH1A1PPARD
SCHEMBL24409050 0.86 LMNA (0.55) PKMFABP3FABP4ALDH1A1PPARD

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