SCHEMBL22201771

SCHEMBL22201771

CC(=O)OC(C)c1ccc(F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
PGR P06401 1/20 0.33
PTGS1 P23219 1/20 0.33
PDE4A P27815 1/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
POLB P06746 1/20 0.32
CA12 O43570 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA7 P43166 2/20 0.32
CA9 Q16790 2/20 0.32
CA14 Q9ULX7 2/20 0.32
MMP12 P39900 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL27700199 0.84 CES2 (0.46) CES2CES1TSHRMEN1KMT2A
SCHEMBL27502542 0.84 CES2 (0.44) CES2CES1TSHRNPC1CA12
SCHEMBL17380950 0.77 CES2 (0.46) CES2CES1MEN1KMT2APGR
SCHEMBL22241276 0.77 CES2 (0.46) CES2CES1MEN1KMT2APGR
SCHEMBL27854073 0.76 MEN1 (0.49) CES2CES1MEN1KMT2APGR
SCHEMBL27930596 0.75 HTT (0.35) CES2CES1TSHRMEN1KMT2A
SCHEMBL27860279 0.75 APLNR (0.38) MEN1KMT2ANPC1PGRPTGS1
SCHEMBL195340 0.72 CES2 (0.49) CES2CES1TSHRMEN1KMT2A
SCHEMBL28022516 0.70 CES2 (0.43) CES2CES1TSHRMEN1KMT2A
SCHEMBL27949330 0.70 LMNA (0.50) TSHRMEN1KMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200216670-A1 THERMOSETTING SILICON-CONTAINING COMPOUND, COMPOSITION FOR FORMING A SILICON-CONTAINING FILM, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed