SCHEMBL8086309

SCHEMBL8086309

O=c1cc(C(F)(F)F)n(-c2ccc(O)cc2F)c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
HSP90AA1 P07900 5/20 0.38
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
CYP2C19 P33261 1/20 0.36
BLM P54132 1/20 0.36
PMP22 Q01453 1/20 0.36
KCNMA1 Q12791 1/20 0.36
XDH P47989 2/20 0.33
SLC22A12 Q96S37 2/20 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
SCHEMBL7235517 0.78 BCAT1 (0.52) ESR1ESR2CYP2C9CYP2C19BCAT1
SCHEMBL29575271 0.78 BCAT1 (0.36) MEN1MAPTKMT2APOLBHSD17B10
SCHEMBL8578733 0.77 AR (0.34) MEN1MAPTKMT2ABCAT1HCAR1
SCHEMBL31442417 0.75 HCAR1 (0.40) MEN1MAPTKMT2ABCAT1HCAR1
SCHEMBL9114198 0.74 ESR1 (0.40) ESR1ESR2HSP90AA1AR
SCHEMBL7537781 0.73 BCAT2 (0.45) MEN1MAPTKMT2APOLBHSD17B10
SCHEMBL8137593 0.72 CHRM5 (0.41) ALDH1A1
SCHEMBL8087404 0.71 KDM4E (0.36) MEN1MAPTKMT2AHSP90AA1NPSR1
SCHEMBL7833292 0.70 NOTUM (0.48) MEN1MAPTKMT2AHSD17B10TSHR
SCHEMBL8087357 0.69 PTGES (0.37) MAPTAR

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-1051404-A1 SUBSTITUTED PHENYLURACILS WITH HERBICIDAL EFFECT BAYER AG (DE) 2000-11-15 EP disclosed
WO-1999038851-A1 SUBSTITUTED PHENYLURACILS WITH HERBICIDAL EFFECT BAYER AKTIENGESELLSCHAFT (DE) 1999-08-05 WO disclosed