SCHEMBL17923977

SCHEMBL17923977

C=CC1COC(=O)OC1c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.35
TSHR P16473 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RIPK1 Q13546 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
MAOB P27338 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CA2 P00918 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CTRC Q99895 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL17923904 0.75 CYP2C19 (0.47) CYP19A1TSHRCYP2C9CYP2C19KDM4E
SCHEMBL17923980 0.72 CYP2C19 (0.33) CYP19A1TSHRCYP2C9CYP2C19MAOB
SCHEMBL980226 0.72 POLB (0.36) CYP19A1CYP2C9CYP2C19KDM4EADORA3
SCHEMBL5538727 0.71
SCHEMBL15396044 0.71 TSHR (0.52) CYP19A1TSHRKDM4EADORA3AR
SCHEMBL272449 0.71 TSHR (0.52) CYP19A1TSHRKDM4EADORA3AR
SCHEMBL5534757 0.69
SCHEMBL27859055 0.69 CYP2C19 (0.38) CYP19A1TSHRCYP2C9CYP2C19KDM4E
SCHEMBL980838 0.69 ALDH1A1 (0.45) CYP19A1TSHRCYP2C9CYP2C19KDM4E
SCHEMBL31174647 0.68 CES2 (0.33) TSHRCYP2C9CYP2C19CA2ALDH1A1

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