SCHEMBL8501557

SCHEMBL8501557

C=C(C)C(=O)OCC(C)C.C=CC(=O)OC(CC)CCCCC

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.51
HPGD P15428 1/20 0.37
FAAH O00519 1/20 0.34
PLA2G2C Q5R387 1/20 0.32
PRKCA P17252 2/20 0.32
PRKCD Q05655 1/20 0.32
ABCB1 P08183 1/20 0.32
MAPT P10636 1/20 0.31
CTSK P43235 1/20 0.31
THRB P10828 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 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
SCHEMBL8620233 0.89 TSHR (0.44) TSHRHPGDFAAHPRKCAPRKCD
SCHEMBL4202560 0.89 TSHR (0.58) TSHRHPGDFAAHPLA2G2CPRKCA
SCHEMBL9186055 0.88 TSHR (0.54) TSHRHPGDFAAHPLA2G2CPRKCA
SCHEMBL5336277 0.87 ALDH1A1 (0.41) TSHRHPGDPLA2G2CPRKCAPRKCD
SCHEMBL29362857 0.87 TSHR (0.42) TSHRHPGDFAAHPLA2G2CPRKCA
SCHEMBL5477404 0.86 TSHR (0.60) TSHRHPGDFAAHPLA2G2CTHRB
SCHEMBL5270024 0.86 TSHR (0.60) TSHRHPGDFAAHPLA2G2CTHRB
SCHEMBL7647460 0.85 TSHR (0.48) TSHRHPGDFAAHPRKCAPRKCD
SCHEMBL29026124 0.85 TSHR (0.39) TSHRHPGDFAAHPRKCAPRKCD
SCHEMBL28122605 0.84 TSHR (0.49) TSHRHPGDPRKCAPRKCDCTSK

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-0902800-A1 SURFACTANT-CONTAINING ACETOACETOXY-FUNCTIONAL AND ENAMINE-FUNCTIONAL POLYMERS EASTMAN CHEMICAL COMPANY (US) 1999-03-24 EP claimed
WO-1997045468-A1 SURFACTANT-CONTAINING ACETOACETOXY-FUNCTIONAL AND ENAMINE-FUNCTIONAL POLYMERS EASTMAN CHEMICAL COMPANY (US) 1997-12-04 WO claimed