SCHEMBL5077504

SCHEMBL5077504

O=C(C(C(=O)C(F)(F)F)=P(c1ccccc1)(c1ccccc1)c1ccccc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.43
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
PTPN1 P18031 1/20 0.38
USP2 O75604 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CFTR P13569 1/20 0.34
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
PTPN5 P54829 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 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
SCHEMBL497796 0.81 ACHE (0.46) CES1NPSR1MEN1KMT2AKDM4E
SCHEMBL14372102 0.80 CES1 (0.41) CES1CA2CA4CA5APTPN1
SCHEMBL14372103 0.80 CES1 (0.45) CES1CA2CA4CA5APTPN1
SCHEMBL4604853 0.71 CES2 (0.44) CES1CA2CA4CA5AUSP2
Trifluoroacetic Acid SCHEMBL8535334 0.70 CES1 (0.52) CES1CA2CA4CA5APTPN1
SCHEMBL5072367 0.70 CES2 (0.56) CES1CA2CA4CA5ANPSR1
Trifluoroacetic Acid SCHEMBL998295 0.68 CES1 (0.45) CES1CA2CA4CA5APTPN1
SCHEMBL9736806 0.68 CES1 (0.45) CES1CA2CA4CA5APTPN1
SCHEMBL23112580 0.68 KDM4E (0.47) CES1NPSR1MEN1KMT2AKDM4E
SCHEMBL1436220 0.67 CES1 (0.60) CES1CA2CA4CA5ARAB9A

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
US-20080274334-A1 Dry Etching Gas and Method of Dry Etching NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 2008-11-06 US disclosed
EP-1760769-A1 DRY ETCHING GASES AND METHOD OF DRY ETCHING National Institute of Advanced Industrial Science and Technology (JP) 2007-03-07 EP disclosed