SCHEMBL7591304

SCHEMBL7591304

CCCCCOCC(OCCCCC)(OCCCCC)OCCCCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.48
HTT P42858 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.41
CES2 O00748 2/20 0.39
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
USP2 O75604 1/20 0.36
TSHR P16473 1/20 0.36
PLA2G2C Q5R387 1/20 0.33
SPHK1 Q9NYA1 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA9 Q16790 2/20 0.32
CA12 O43570 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
SCHEMBL4145527 0.93 TSHR (0.42) CES1HTTMEN1THRBKMT2A
SCHEMBL16353761 0.88 CES1 (0.47) CES1HTTMEN1THRBKMT2A
SCHEMBL11747425 0.84 CES1 (0.41) CES1HTTMEN1THRBKMT2A
SCHEMBL855728 0.82 TSHR (0.38) CES1HTTMEN1THRBKMT2A
SCHEMBL11799813 0.81 CES1 (0.46) CES1HTTMEN1THRBKMT2A
SCHEMBL11799377 0.81 CES1 (0.46) CES1HTTMEN1THRBKMT2A
SCHEMBL15809387 0.81 TSHR (0.41) CES1HTTMEN1THRBKMT2A
SCHEMBL9239969 0.80 CES1 (0.37) CES1HTTMEN1THRBKMT2A
SCHEMBL2858501 0.79 TSHR (0.35) CES1TSHR
SCHEMBL28353804 0.77 TSHR (0.43) CES1HTTMEN1THRBKMT2A

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-1244473-A1 SUPERABSORBENT POLYMERS HAVING A SLOW RATE OF ABSORPTION THE DOW CHEMICAL COMPANY (US) 2002-10-02 EP disclosed
WO-2001041818-A1 SUPERABSORBENT POLYMERS HAVING A SLOW RATE OF ABSORPTION THE DOW CHEMICAL COMPANY (US) 2001-06-14 WO disclosed