SCHEMBL2038241

SCHEMBL2038241

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

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
LPAR3 Q9UBY5 8/20 0.39
LPAR2 Q9HBW0 6/20 0.39
LPAR1 Q92633 4/20 0.39
THRB P10828 1/20 0.37
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SMPD1 P17405 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
SCHEMBL14675853 0.94 TSHR (0.43) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL28874073 0.94 TSHR (0.40) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL2040421 0.90 TSHR (0.47) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL28874076 0.84 TSHR (0.41) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL28874094 0.83 TSHR (0.43) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL2034320 0.83 TSHR (0.47) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL40720 0.82 TSHR (0.59) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL346923 0.81 TSHR (0.62) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL1653308 0.81 TSHR (0.62) TSHRLPAR3LPAR2LPAR1THRB
SCHEMBL1651991 0.81 TSHR (0.62) TSHRLPAR3LPAR2LPAR1THRB

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
WO-2011073280-A2 COSMETIC TREATMENT METHOD INVOLVING A DURABLE COMPOUND CAPABLE OF CONDENSING IN SITU L'OREAL (FR) 2011-06-23 WO disclosed