SCHEMBL16859930

SCHEMBL16859930

Cc1cccc(C(CP(=O)(O)O)c2cccc(C)c2)c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 4/20 0.65
PGK1 P00558 5/20 0.44
PGK2 P07205 5/20 0.44
SRC P12931 1/20 0.42
CYP26A1 O43174 1/20 0.40
CYP19A1 P11511 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39

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
SCHEMBL3888442 0.84 ACP3 (0.58) ACP3PGK1PGK2SRCGPR139
SCHEMBL3896709 0.80 ACP3 (0.49) ACP3SRC
SCHEMBL18606568 0.79 ACP3 (0.66) ACP3PGK1PGK2SRC
SCHEMBL3884843 0.79 ACP3 (0.89) ACP3PGK1PGK2SRC
SCHEMBL777722 0.79 CA12 (0.47) PGK1PGK2SRC
SCHEMBL875769 0.78 SRC (0.60) ACP3PGK1PGK2SRC
SCHEMBL31169490 0.78 ACP3 (0.55) ACP3PGK1PGK2CYP26A1CYP19A1
SCHEMBL3893653 0.78 ACP3 (0.64) ACP3PGK1PGK2SRC
SCHEMBL11082514 0.78 PGK1 (0.74) ACP3PGK1PGK2SRC
SCHEMBL21616521 0.77 ACP3 (0.58) ACP3PGK1PGK2TAAR1

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
US-9608291-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2017-03-28 US disclosed
US-20150188192-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2015-07-02 US disclosed