SCHEMBL8300964

SCHEMBL8300964

N#Cc1cc(F)c(C(=O)O)cc1F

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 2/20 0.48
KDM4E B2RXH2 2/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
NOTUM Q6P988 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CNR2 P34972 1/20 0.37
TAS2R14 Q9NYV8 1/20 0.36

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
SCHEMBL14720088 0.92 TRPV4 (0.44) TRPV4KDM4EASPHKDM8NOTUM
SCHEMBL31171409 0.92 TRPV4 (0.44) TRPV4KDM4EASPHKDM8NOTUM
SCHEMBL8299931 0.83 ALDH1A1 (0.42) TRPV4KDM4EASPHKDM8KEAP1
SCHEMBL19554362 0.83 KEAP1 (0.46) TRPV4KDM4EKEAP1NFE2L2NOTUM
SCHEMBL8304252 0.83 KEAP1 (0.44) TRPV4KDM4EKEAP1NFE2L2NOTUM
SCHEMBL5495032 0.82 TRPV4 (0.52) TRPV4
SCHEMBL8004361 0.82 TRPV4 (0.47) TRPV4CNR2
SCHEMBL8299340 0.82 TRPV4 (0.47) TRPV4KDM4E
SCHEMBL8006776 0.82 TRPV4 (0.47) TRPV4CNR2
SCHEMBL1713733 0.80 KDM4E (0.54) KDM4EASPHKDM8KEAP1NFE2L2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025054187-A1 TGR5 ANTAGONISTS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2025-03-13 WO disclosed
EP-0906285-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AG (DE) 1999-04-07 EP disclosed
EP-0897383-A1 3-CYANOARYL PYRAZOLES AND THEIR USE AS HERBICIDES BAYER AG (DE) 1999-02-24 EP disclosed
WO-1997046535-A1 3-CYANOARYL PYRAZOLES AND USE THEREOF AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-11 WO disclosed
WO-1997040018-A1 3-CYANOARYL PYRAZOLES AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-30 WO disclosed