SCHEMBL24409072

SCHEMBL24409072

Cn1nc(CCC(=O)O)cc1-c1ccc(F)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.72
RXRA P19793 6/20 0.56
RXRB P28702 6/20 0.56
RXRG P48443 6/20 0.56
ALDH1A1 P00352 7/20 0.52
KDM4E B2RXH2 6/20 0.52
HSD17B10 Q99714 5/20 0.52
ALOX15 P16050 4/20 0.52
MAPK1 P28482 2/20 0.52
USP2 O75604 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
APEX1 P27695 1/20 0.49
HPGD P15428 2/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
HDAC6 Q9UBN7 2/20 0.46
MAPT P10636 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL24409055 0.87 NR1H4 (0.74) NR1H4RXRARXRBRXRGALDH1A1
SCHEMBL24425232 0.87 NR1H4 (0.62) NR1H4RXRARXRBRXRGALDH1A1
SCHEMBL24409061 0.85 NR1H4 (0.70) NR1H4RXRARXRBRXRGALDH1A1
SCHEMBL24419672 0.84 NR1H4 (0.70) NR1H4RXRARXRBRXRGALDH1A1
SCHEMBL24408949 0.83 NR1H4 (0.54) NR1H4RXRARXRBRXRGALDH1A1
SCHEMBL24419805 0.83 NR1H4 (0.57) NR1H4RXRARXRBRXRGALDH1A1
SCHEMBL24419674 0.82 NR1H4 (0.59) NR1H4RXRARXRBRXRGALDH1A1
SCHEMBL5417813 0.81 HDAC6 (0.52) NR1H4RXRARXRBRXRGALDH1A1
SCHEMBL24409348 0.81 NR1H4 (0.52) NR1H4RXRARXRBRXRGALDH1A1
SCHEMBL24409202 0.80 NR1H4 (0.56) NR1H4RXRARXRBRXRGHDAC6

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