SCHEMBL24409202

SCHEMBL24409202

Cn1nc(CCC(=O)O)cc1-c1c(F)cccc1F

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.56
RXRA P19793 10/20 0.47
RXRB P28702 10/20 0.47
RXRG P48443 10/20 0.47
FFAR1 O14842 6/20 0.39
FFAR4 Q5NUL3 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL24409354 0.86 NR1H4 (0.42) NR1H4RXRARXRBRXRGSMN1; SMN2
SCHEMBL24408958 0.84 LMNA (0.48) NR1H4SMN1; SMN2
SCHEMBL24409072 0.80 NR1H4 (0.72) NR1H4RXRARXRBRXRGSMN1; SMN2
SCHEMBL24408949 0.79 NR1H4 (0.54) NR1H4RXRARXRBRXRGFFAR1
SCHEMBL24425232 0.78 NR1H4 (0.62) NR1H4RXRARXRBRXRGHDAC6
SCHEMBL24409088 0.76 RXRA (0.63) NR1H4RXRARXRBRXRGFFAR1
SCHEMBL24419709 0.76 NR1H4 (0.56) NR1H4RXRARXRBRXRGFFAR1
SCHEMBL24425227 0.76 NR1H4 (0.56) NR1H4RXRARXRBRXRGFFAR1
SCHEMBL15862756 0.76 KMT2A (0.43)
SCHEMBL24419672 0.75 NR1H4 (0.70) NR1H4RXRARXRBRXRGFFAR1

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-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
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