SCHEMBL24425232

SCHEMBL24425232

Cn1nc(CCC(=O)O)cc1-c1cc(F)cc(F)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.62
RXRA P19793 11/20 0.51
RXRB P28702 11/20 0.51
RXRG P48443 11/20 0.51
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39
HSD17B10 Q99714 4/20 0.39
ALOX15 P16050 3/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR52 Q9Y2T5 1/20 0.38
APEX1 P27695 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL24409072 0.87 NR1H4 (0.72) NR1H4RXRARXRBRXRGKDM4E
SCHEMBL24419805 0.87 NR1H4 (0.57) NR1H4RXRARXRBRXRGKDM4E
SCHEMBL24409020 0.85 NR1H4 (0.46) NR1H4RXRARXRBRXRGHSD17B10
SCHEMBL24409133 0.83 NR1H4 (0.44) NR1H4RXRARXRBRXRGKDM4E
SCHEMBL24419674 0.80 NR1H4 (0.59) NR1H4RXRARXRBRXRGKDM4E
SCHEMBL24409055 0.80 NR1H4 (0.74) NR1H4RXRARXRBRXRGKDM4E
SCHEMBL24419672 0.80 NR1H4 (0.70) NR1H4RXRARXRBRXRGKDM4E
SCHEMBL24419803 0.80 NR1H4 (0.62) NR1H4RXRARXRBRXRGKDM4E
SCHEMBL24409061 0.78 NR1H4 (0.70) NR1H4RXRARXRBRXRGKDM4E
SCHEMBL24409202 0.78 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-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