SCHEMBL28186371

SCHEMBL28186371

COC(=O)C(C)=CC(O)CCCO.OCCOCCCCOCCO

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.34
THRB P10828 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.33
ADRB2 P07550 1/20 0.32
ADRB3 P13945 1/20 0.32
PLA2G2C Q5R387 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30

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
SCHEMBL2419658 0.89 PTPN1 (0.32) TSHR
SCHEMBL2712987 0.85 ZDHHC7 (0.32)
SCHEMBL6335679 0.83 ZDHHC7 (0.34) GAACYP4F2CYP4A11
SCHEMBL1155133 0.83 ZDHHC7 (0.34) GAACYP4F2CYP4A11
SCHEMBL1533657 0.83 ZDHHC7 (0.34) GAACYP4F2CYP4A11
SCHEMBL25403305 0.83 ZDHHC7 (0.34) GAACYP4F2CYP4A11
SCHEMBL2512430 0.83 ZDHHC7 (0.34) GAACYP4F2CYP4A11
SCHEMBL6849258 0.83 ZDHHC7 (0.34) GAACYP4F2CYP4A11
SCHEMBL8853273 0.80 MIF (0.33) TSHR
SCHEMBL16162652 0.75

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
CN-107427814-A Dirt adsorption complex, composition and its application method of durable association 宝洁公司 2017-12-01 CN disclosed
CN-107427811-A Soil adsorbing composites, compositions and methods of use thereof 宝洁公司 2017-12-01 CN disclosed