SCHEMBL30799387

SCHEMBL30799387

O=C(O)Cc1c(OC(F)(F)F)ccc(Br)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
RORC P51449 5/20 0.35
KMO O15229 2/20 0.34
SLC26A3 P40879 2/20 0.34
PKM P14618 1/20 0.34
APP P05067 1/20 0.33
EPHX2 P34913 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
S1PR2 O95136 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
DUSP3 P51452 1/20 0.33
PTPN5 P54829 1/20 0.33
PTPN11 Q06124 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33

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
SCHEMBL27034924 1.00 AKR1B1 (0.38) AKR1B1PTGDR2RORCKMOSLC26A3
SCHEMBL27034928 0.82 MTNR1A (0.39) APPHTR2AHTR2C
SCHEMBL30799207 0.82 MTNR1A (0.39) APPHTR2AHTR2C
SCHEMBL26090518 0.81 NOTUM (0.35) EPHX2HTR2AHTR2C
SCHEMBL31657265 0.81 NOTUM (0.35) EPHX2HTR2AHTR2C
SCHEMBL27035008 0.75 SRD5A1 (0.34)
SCHEMBL261693 0.74 AKR1B1 (0.44) AKR1B1PTGDR2FFAR4
SCHEMBL2239127 0.74 AKR1B1 (0.57) AKR1B1
SCHEMBL7472716 0.73 GAA (0.46) RORCRXRARXRBRXRGFFAR4
SCHEMBL12245353 0.71 AKR1B1 (0.44) AKR1B1PTGDR2

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-2024017762-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-01-25 WO disclosed