SCHEMBL28874085

SCHEMBL28874085

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

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
ENPP2 Q13822 6/20 0.32
LPAR3 Q9UBY5 4/20 0.31
LPAR1 Q92633 3/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL28874070 0.98 TSHR (0.32) TSHRENPP2LPAR3LPAR1SMN1; SMN2
SCHEMBL28874084 0.89 LPAR3 (0.35) TSHRLPAR3LPAR1
SCHEMBL28874087 0.88 SGPL1 (0.34) TSHRENPP2LPAR3LPAR1SMN1; SMN2
SCHEMBL28504236 0.88 TSHR (0.33) TSHRENPP2LPAR3
SCHEMBL28874072 0.87 SGPL1 (0.36) TSHRENPP2LPAR3LPAR1SMN1; SMN2
SCHEMBL28639879 0.85 TSHR (0.33) TSHRENPP2LPAR3
SCHEMBL27645099 0.80 TSHR (0.41) TSHRENPP2LPAR3LPAR1SMN1; SMN2
SCHEMBL28874090 0.79 LPAR3 (0.38) TSHRENPP2LPAR3LPAR1
SCHEMBL28874081 0.79 LPAR3 (0.35) TSHRENPP2LPAR3LPAR1
SCHEMBL28652607 0.79 LPAR3 (0.36) LPAR3LPAR1

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