SCHEMBL26617151

SCHEMBL26617151

[CH2]c1c(F)cccc1OC(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPL P40238 1/20 0.37
KCNN4 O15554 1/20 0.36
TRPA1 O75762 1/20 0.35
EPHX2 P34913 1/20 0.35
KDM4E B2RXH2 1/20 0.35
SYK P43405 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
SCN9A Q15858 3/20 0.33
RORC P51449 2/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
GRIA1 P42261 1/20 0.33
CACNG8 Q8WXS5 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
PDE2A O00408 1/20 0.33
ALOX5AP P20292 1/20 0.32

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
SCHEMBL1044967 0.87 KDM4E (0.39) MPLEPHX2KDM4ESCN9AGRIA1
SCHEMBL1401600 0.78 MPL (0.46) MPLKCNN4TRPA1EPHX2KDM4E
SCHEMBL255271 0.78 EPHX2 (0.43) MPLKCNN4EPHX2CYP2D6SLC6A2
SCHEMBL29635691 0.78 EPHX2 (0.43) MPLKCNN4EPHX2CYP2D6SLC6A2
SCHEMBL24499252 0.75 MPL (0.37) MPLKCNN4TRPA1EPHX2KDM4E
SCHEMBL22686218 0.75 MPL (0.37) MPLKCNN4TRPA1EPHX2KDM4E
SCHEMBL4218979 0.75 ALB (0.39) MPLKCNN4TRPA1EPHX2KDM4E
SCHEMBL24886371 0.75 KCNN4 (0.39) MPLKCNN4TRPA1EPHX2KDM4E
SCHEMBL2311679 0.75 MPL (0.37) MPLKCNN4TRPA1EPHX2KDM4E
SCHEMBL900976 0.75 MPL (0.44) MPLTRPA1EPHX2KDM4ESYK

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
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP claimed
EP-4273147-A1 SUBSTITUTED SPIROLACTAMS, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2023-11-08 EP disclosed