SCHEMBL17923980

SCHEMBL17923980

C=CCC1OC(=O)OCC1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 3/20 0.33
CYP2C9 P11712 2/20 0.33
DAO P14920 1/20 0.33
CYP19A1 P11511 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
HTR2C P28335 3/20 0.30
HTR2B P41595 3/20 0.30
MAOB P27338 3/20 0.30
HTR2A P28223 2/20 0.30
F2 P00734 2/20 0.30
ELANE P08246 2/20 0.30
CES2 O00748 1/20 0.30
CTSG P08311 1/20 0.30
MAOA P21397 2/20 0.30
KDM1A O60341 1/20 0.30
CYP2B6 P20813 1/20 0.30
LMNA P02545 1/20 0.30
CYP1A2 P05177 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
SCHEMBL31174647 0.76 CES2 (0.33) CYP2C19CYP2C9ALDH1A1TSHRF2
SCHEMBL27859055 0.74 CYP2C19 (0.38) CYP2C19CYP2C9DAOCYP19A1TAAR1
SCHEMBL17923904 0.74 CYP2C19 (0.47) CYP2C19CYP2C9DAOCYP19A1TAAR1
SCHEMBL17923902 0.73 PRSS1 (0.33) F2
SCHEMBL17923984 0.73 PRSS1 (0.33) F2
SCHEMBL17923977 0.72 CYP19A1 (0.35) CYP2C19CYP2C9CYP19A1TAAR1ALDH1A1
SCHEMBL17923892 0.68 PRSS1 (0.30) F2
SCHEMBL2496004 0.67 PRSS1 (0.37) ALDH1A1F2
SCHEMBL2493125 0.67 PRSS1 (0.37) ALDH1A1F2
SCHEMBL2496000 0.67 PRSS1 (0.37) ALDH1A1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3051618-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEM CORP (JP) 2018-11-14 EP disclosed
US-9461334-B2 Nonaqueous electrolytic solution and nonaqueous electrolyte battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2016-10-04 US disclosed
EP-3051618-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME Mitsubishi Chemical Corporation (JP) 2016-08-03 EP disclosed
US-20160211553-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2016-07-21 US disclosed