SCHEMBL28874072

SCHEMBL28874072

C=CC(=O)OC(C)CCCCC(COP(=O)(O)O)[N+](CCCC)(CCCC)CCCC

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SGPL1 O95470 4/20 0.36
TSHR P16473 1/20 0.35
ENPP2 Q13822 6/20 0.34
PLA2G4A P47712 2/20 0.34
LPAR3 Q9UBY5 4/20 0.34
LPAR1 Q92633 3/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL28874087 0.94 SGPL1 (0.34) SGPL1TSHRENPP2PLA2G4ALPAR3
SCHEMBL28874070 0.90 TSHR (0.32) SGPL1TSHRENPP2PLA2G4ALPAR3
SCHEMBL28874081 0.88 LPAR3 (0.35) TSHRENPP2LPAR3LPAR1
SCHEMBL28874090 0.88 LPAR3 (0.38) TSHRENPP2LPAR3LPAR1
SCHEMBL28874085 0.87 TSHR (0.32) TSHRENPP2LPAR3LPAR1SMN1; SMN2
SCHEMBL28639879 0.84 TSHR (0.33) TSHRENPP2PLA2G4ALPAR3
SCHEMBL28504236 0.82 TSHR (0.33) TSHRENPP2LPAR3
SCHEMBL28874084 0.77 LPAR3 (0.35) TSHRLPAR3LPAR1
SCHEMBL28632853 0.76 LPAR2 (0.33) LPAR3
SCHEMBL5173930 0.76 LPAR3 (0.46) TSHRLPAR3LPAR1

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-115120510-A Agent for hair deformation treatment, set for hair deformation treatment, and method for hair deformation treatment 株式会社资生堂 2022-09-30 CN disclosed