SCHEMBL4357657

SCHEMBL4357657

C=CCC(CCCC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.46
CA1 P00915 4/20 0.46
TSHR P16473 4/20 0.42
CPB2 Q96IY4 2/20 0.42
MAPK1 P28482 1/20 0.41
HPGD P15428 2/20 0.39
CYP3A4 P08684 1/20 0.38
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
CPA1 P15085 1/20 0.36

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
SCHEMBL28728350 0.95 CPB2 (0.45) CA2CA1TSHRCPB2MAPK1
SCHEMBL5599769 0.93 CPB2 (0.47) CA2CA1TSHRCPB2
SCHEMBL9673462 0.93 CPB2 (0.47) CA2CA1TSHRCPB2
SCHEMBL31228924 0.89 HDAC1 (0.40) CA2CA1TSHRCPB2HPGD
SCHEMBL16063906 0.89 HDAC1 (0.40) CA2CA1TSHRCPB2HPGD
SCHEMBL28063217 0.88 TSHR (0.53) CA2CA1TSHRMAPK1HPGD
SCHEMBL28063225 0.86 TSHR (0.51) CA2CA1TSHRMAPK1HPGD
SCHEMBL28952855 0.86 CA2 (0.46) CA2CA1TSHRMAPK1HPGD
SCHEMBL29051932 0.86 CA2 (0.65) CA2CA1TSHRMAPK1HPGD
SCHEMBL9733066 0.85 CPB2 (0.43) CA2CA1TSHRCPB2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114711533-A System for dispensing a cosmetic product 欧莱雅 2022-07-08 CN disclosed
CN-114617352-A System for dispensing a cosmetic product 欧莱雅 2022-06-14 CN disclosed
US-8487071-B2 Polyether polymer and production process thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2013-07-16 US disclosed
US-20110065889-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-03-17 US disclosed
WO-2009142094-A1 POLYETHER POLYMER AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-26 WO disclosed