SCHEMBL28874073

SCHEMBL28874073

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

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
THRB P10828 1/20 0.38
LPAR3 Q9UBY5 8/20 0.36
LPAR2 Q9HBW0 6/20 0.36
LPAR1 Q92633 4/20 0.36
ALDH1A1 P00352 1/20 0.31
ENPP2 Q13822 2/20 0.30
POLB P06746 1/20 0.30
APEX1 P27695 1/20 0.30
HTT P42858 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL14675853 0.95 TSHR (0.43) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL2038241 0.94 TSHR (0.46) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL28874076 0.90 TSHR (0.41) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL28874094 0.89 TSHR (0.43) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL20582579 0.87 THRB (0.40) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL16737919 0.87 TSHR (0.39) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL2034320 0.84 TSHR (0.47) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL2040421 0.84 TSHR (0.47) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL28874092 0.84 TSHR (0.46) TSHRTHRBLPAR3LPAR2LPAR1
SCHEMBL2036641 0.83 THRB (0.39) TSHRTHRBALDH1A1

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