SCHEMBL28874076

SCHEMBL28874076

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
LPAR3 Q9UBY5 8/20 0.38
LPAR2 Q9HBW0 6/20 0.38
LPAR1 Q92633 4/20 0.38
THRB P10828 1/20 0.36
ENPP2 Q13822 4/20 0.32
SMPD1 P17405 2/20 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
SCHEMBL28874094 0.94 TSHR (0.43) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL2040421 0.94 TSHR (0.47) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL28874078 0.94 TSHR (0.41) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL28874073 0.90 TSHR (0.40) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL2034320 0.89 TSHR (0.47) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL28874092 0.89 TSHR (0.46) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL28637235 0.88 TSHR (0.40) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL14675853 0.85 TSHR (0.43) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL16737919 0.85 TSHR (0.39) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL2041337 0.84 TSHR (0.39) TSHRTHRB

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