SCHEMBL2034320

SCHEMBL2034320

C=C(C)C(=O)OCCCC(CCOP(=O)(O)O)[N+](CCCC)(CCCC)CCCC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
LPAR3 Q9UBY5 6/20 0.37
LPAR1 Q92633 4/20 0.37
LPAR2 Q9HBW0 4/20 0.37
THRB P10828 1/20 0.35
ENPP2 Q13822 5/20 0.33
SMPD1 P17405 3/20 0.32
LPAR6 P43657 1/20 0.32
LPAR4 Q99677 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32

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 0.95 TSHR (0.43) TSHRLPAR3LPAR1LPAR2THRB
SCHEMBL28874092 0.95 TSHR (0.46) TSHRLPAR3LPAR1LPAR2THRB
SCHEMBL28874076 0.89 TSHR (0.41) TSHRLPAR3LPAR1LPAR2THRB
SCHEMBL14675853 0.89 TSHR (0.43) TSHRLPAR3LPAR1LPAR2THRB
SCHEMBL2040421 0.88 TSHR (0.47) TSHRLPAR3LPAR1LPAR2THRB
SCHEMBL28874078 0.88 TSHR (0.41) TSHRLPAR3LPAR1LPAR2THRB
SCHEMBL2037549 0.87 TSHR (0.44) TSHRLPAR3LPAR1LPAR2THRB
SCHEMBL2037326 0.86 TSHR (0.43) TSHRTHRB
SCHEMBL28874073 0.84 TSHR (0.40) TSHRLPAR3LPAR1LPAR2THRB
SCHEMBL3677974 0.84 TSHR (0.42) TSHRLPAR3LPAR1LPAR2THRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2512416-A2 COSMETIC TREATMENT METHOD INVOLVING A COMPOUND CAPABLE OF CONDENSING IN SITU L'Oréal (FR) 2012-10-24 EP disclosed
WO-2011073279-A2 COSMETIC TREATMENT METHOD INVOLVING A COMPOUND CAPABLE OF CONDENSING IN SITU L'OREAL (FR) 2011-06-23 WO disclosed