SCHEMBL29120174

SCHEMBL29120174

CCCP(=O)([O-])CCC.CCCP(=O)([O-])CCC.[Ca+2]

nearest known ligand 0.33

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 3/20 0.32
FDPS P14324 2/20 0.32
LPAR2 Q9HBW0 1/20 0.32
TRPM8 Q7Z2W7 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
SCHEMBL20985838 0.93 LPAR3 (0.32) LPAR3LPAR2TRPM8
Zinc Ion SCHEMBL29120166 0.93 LPAR3 (0.32) LPAR3LPAR2TRPM8
SCHEMBL29120170 0.93 LPAR3 (0.32) LPAR3LPAR2TRPM8
SCHEMBL18378220 0.93 MMP1 (0.33) LPAR3LPAR2TRPM8
SCHEMBL17941190 0.93 LPAR3 (0.32) LPAR3LPAR2TRPM8
Potassium Ion SCHEMBL29120187 0.93 SLC34A1 (0.33) LPAR3LPAR2TRPM8
SCHEMBL18378035 0.93 LPAR3 (0.32) LPAR3LPAR2TRPM8
SCHEMBL28343150 0.83 TRPM8 (0.39) LPAR3LPAR2TRPM8
SCHEMBL8405559 0.81 L3MBTL1 (0.31)
SCHEMBL28900922 0.81

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
CN-117164623-A Synthesis method of dialkyl phosphinate 江苏利思德新材料股份有限公司 2023-12-05 CN claimed
CN-117164623-A Synthesis method of dialkyl phosphinate 江苏利思德新材料股份有限公司 2023-12-05 CN disclosed