SCHEMBL6232532

SCHEMBL6232532

CC(C)c1c(O)c(OC(=O)O)cc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LDHA P00338 2/20 0.34
LDHB P07195 2/20 0.34
POLB P06746 1/20 0.33
POLA1 P09884 1/20 0.33
ANTXR2 P58335 1/20 0.33
ALB P02768 3/20 0.32
PTGS2 P35354 1/20 0.31
TYR P14679 1/20 0.31
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL5588963 0.79 POLB (0.42) POLBPOLA1ANTXR2ALBPTGS2
SCHEMBL6233296 0.74 POLB (0.36) POLBPOLA1ANTXR2PTGS2
SCHEMBL6236994 0.73 TPMT (0.41) POLBPTGS2
SCHEMBL6232525 0.73 BCL2 (0.44) LDHALDHB
SCHEMBL19769008 0.73 BCL2 (0.36) LDHALDHB
SCHEMBL5587660 0.73 LDHA (0.31) LDHALDHB
SCHEMBL5587009 0.73 POLB (0.36) POLBPOLA1ANTXR2PTGS2
SCHEMBL6231392 0.72 LDHA (0.36) LDHALDHBPOLBPOLA1ANTXR2
SCHEMBL19768999 0.72 HSD17B10 (0.40) POLB
SCHEMBL20156673 0.71 CES2 (0.38) POLBPOLA1ANTXR2

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-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed