SCHEMBL9847324

SCHEMBL9847324

CCCCOCCOCOCC(O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
CES2 O00748 1/20 0.39
HTT P42858 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.36
PLA2G2C Q5R387 2/20 0.35
CYP3A4 P08684 2/20 0.35
CES1 P23141 1/20 0.35
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
FAAH O00519 1/20 0.32
RARB P10826 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
SCHEMBL8596436 0.87 USP2 (0.46) TSHRCES2HTTUSP2PLA2G2C
SCHEMBL8599077 0.82 USP2 (0.53) CES2HTTMEN1THRBKMT2A
SCHEMBL8600393 0.80 USP2 (0.56) CES2HTTMEN1THRBKMT2A
SCHEMBL8598749 0.80 USP2 (0.56) CES2HTTMEN1THRBKMT2A
SCHEMBL8598288 0.80 USP2 (0.56) CES2HTTMEN1THRBKMT2A
SCHEMBL8599113 0.80 USP2 (0.56) CES2HTTMEN1THRBKMT2A
SCHEMBL8600399 0.80 USP2 (0.56) CES2HTTMEN1THRBKMT2A
SCHEMBL28692169 0.80 HSD17B10 (0.50) CES2HTTMEN1KMT2AMAPT
SCHEMBL7750651 0.78 TSHR (0.45) TSHRCES2HTTMEN1THRB
SCHEMBL14534599 0.78 TSHR (0.45) TSHRCES2HTTMEN1THRB

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
EP-0419283-A2 Azlactone-functional silicon containing compounds and derivatives thereof MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-03-27 EP disclosed