SCHEMBL16672995

SCHEMBL16672995

CCOC(=O)C(c1ccc(C)cc1C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
NLRP3 Q96P20 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
PIN1 Q13526 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPA1 O75762 1/20 0.37
CHRM1 P11229 1/20 0.37

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
SCHEMBL16672742 0.85 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL1954072 0.81 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL30639005 0.81 SMN1; SMN2 (0.51) SMN1; SMN2CYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL16672638 0.79 SMN1; SMN2 (0.49) SMN1; SMN2CYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL4060619 0.77 SRC (0.48) SMN1; SMN2CYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL7062379 0.77 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL16672839 0.76 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2C9CYP2C19TAS1R3
SCHEMBL16713579 0.75 TSHR (0.43) SMN1; SMN2NLRP3MEN1KMT2APIN1
SCHEMBL27967154 0.75 BCHE (0.41) SMN1; SMN2NLRP3MEN1KMT2ALMNA
SCHEMBL8907392 0.74 SMN1; SMN2 (0.44) SMN1; SMN2CYP1A2CYP2C9CYP2C19NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed
CN-104412441-A Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEM CORP 2015-03-11 CN disclosed