SCHEMBL9497774

SCHEMBL9497774

CCCCOCC(C)OC(C)CO

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.48
TSHR P16473 1/20 0.45
TDP1 Q9NUW8 1/20 0.41
SPHK1 Q9NYA1 1/20 0.40
HTT P42858 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
PLA2G2C Q5R387 1/20 0.35
CYP3A4 P08684 1/20 0.34
LPAR1 Q92633 6/20 0.34
LPAR3 Q9UBY5 6/20 0.34
LPAR5 Q9H1C0 4/20 0.34
LPAR2 Q9HBW0 4/20 0.34
LPAR6 P43657 3/20 0.34
LPAR4 Q99677 3/20 0.34

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
SCHEMBL25847365 0.89 TDP1 (0.43) USP2TSHRTDP1SPHK1HTT
SCHEMBL7243087 0.85 TSHR (0.44) USP2TSHRTDP1SPHK1HTT
SCHEMBL1070338 0.81 USP2 (0.53) USP2SPHK1HTTMEN1THRB
SCHEMBL1069406 0.81 USP2 (0.53) USP2SPHK1HTTMEN1THRB
SCHEMBL13046284 0.81 TDP1 (0.41) USP2TSHRTDP1SPHK1HTT
SCHEMBL2721241 0.81 TDP1 (0.47) USP2TSHRTDP1SPHK1HTT
SCHEMBL13069406 0.79 USP2 (0.41) USP2TSHRTDP1SPHK1HTT
SCHEMBL29919310 0.79 ALDH1A1 (0.35) TSHRTDP1HSD17B10
SCHEMBL27299134 0.78 TDP1 (0.44) USP2TSHRTDP1SPHK1HTT
SCHEMBL20963218 0.78 TDP1 (0.48) USP2TDP1HSD17B10

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
US-5202050-A Method for cleaning hard-surfaces using a composition containing organic solvent and polycarboxylated chelating agent THE PROCTER & GAMBLE COMPANY (US) 1993-04-13 US disclosed
EP-0286167-A2 Hard-surface cleaning compositions THE PROCTER & GAMBLE COMPANY (US) 1988-10-12 EP disclosed