SCHEMBL8994533

SCHEMBL8994533

[O]c1ccc(C(C(F)(F)F)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 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
SCHEMBL2092987 0.78 RORC (0.35) PGK1PGK2ESR1ESR2CES2
SCHEMBL186746 0.77 CES2 (0.52) CES2CES1
SCHEMBL18242205 0.74 PGK1 (0.31) PGK1PGK2ESR1ESR2CES2
SCHEMBL8608040 0.72 ESR1 (0.64) ESR1ESR2MAPTHSD17B10
SCHEMBL18243912 0.72 LMNA (0.31) PGK1PGK2ESR1ESR2
SCHEMBL11546152 0.71 TSHR (0.58) PGK1PGK2CES1
SCHEMBL16046946 0.69 CA1 (0.56) HSD17B10CES1
SCHEMBL3929454 0.67 ESR1 (0.45) ESR1ESR2
SCHEMBL22242853 0.67 PTPN5 (0.47) GAAMAPTHSD17B10
SCHEMBL9408539 0.67 ALDH1A1 (0.40) PGK1PGK2ESR1ESR2GAA

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
US-5567597-A DIAGNOSING THE DISEASE BY DETECTING, MEASURING THE LIPASE, PHOSPHOLIPASE, ESTERASE, PROTEASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-10-22 US disclosed
US-5427919-A Therapy, analysis substrates THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-06-27 US disclosed
US-5352673-A Administering to inactivate or inhibit phospholipase A REGENTS OF THE UNIVERSITY OF CALIFORNIA, THE A CORP. OF CALIFORNIA 1994-10-04 US disclosed
US-5308766-A Hydrolytic enzyme inhibitors/inactivators and methods for using same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1994-05-03 US disclosed
WO-1992022289-A1 NOVEL PHOSPHOLIPASE A2 INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1992-12-23 WO disclosed