SCHEMBL28637235

SCHEMBL28637235

C=C(C)C(=O)OCCC(COP(=O)(O)O)[N+](CCC)(CCC)CCC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.38
ENPP2 Q13822 6/20 0.33
LPAR3 Q9UBY5 5/20 0.33
LPAR1 Q92633 4/20 0.33
LPAR5 Q9H1C0 2/20 0.33
LPAR6 P43657 1/20 0.33
LPAR4 Q99677 1/20 0.33
LPAR2 Q9HBW0 1/20 0.33
SGPL1 O95470 4/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL2037549 0.93 TSHR (0.44) TSHRTHRBENPP2LPAR3LPAR1
SCHEMBL28874078 0.91 TSHR (0.41) TSHRTHRBLPAR3LPAR1LPAR2
SCHEMBL541550 0.90 TSHR (0.38) TSHRTHRB
SCHEMBL20582579 0.90 THRB (0.40) TSHRTHRBENPP2LPAR3LPAR1
SCHEMBL28874076 0.88 TSHR (0.41) TSHRTHRBENPP2LPAR3LPAR1
SCHEMBL176509 0.84 TSHR (0.40) TSHRTHRBENPP2LPAR3LPAR1
SCHEMBL28874092 0.84 TSHR (0.46) TSHRTHRBENPP2LPAR3LPAR1
SCHEMBL2041337 0.84 TSHR (0.39) TSHRTHRB
SCHEMBL541928 0.83 TSHR (0.43) TSHRTHRBSMN1; SMN2
SCHEMBL2040421 0.81 TSHR (0.47) TSHRTHRBLPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108463493-B Polymeric substrate having a surface with reduced biomolecule adhesion and thermoplastic articles of such substrate SIO2医药产品公司 2021-10-15 CN disclosed