SCHEMBL16673142

SCHEMBL16673142

CCC(C)C(CCCCc1ccccc1)C(=O)OC

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
EPHX2 P34913 2/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
FAAH O00519 1/20 0.44
MEN1 O00255 1/20 0.44
ACE P12821 1/20 0.44
LMNA P02545 1/20 0.44
PKM P14618 1/20 0.44
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL7326178 0.87 KMT2A (0.48) KMT2AALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL8089064 0.82 FAAH (0.51) FAAH
SCHEMBL16156176 0.81 KMT2A (0.48) SMN1; SMN2KMT2AALDH1A1HPGDCYP2D6
SCHEMBL6190476 0.81 KMT2A (0.48) SMN1; SMN2KMT2AALDH1A1HPGDCYP2D6
SCHEMBL16672978 0.81 CA1 (0.56) SMN1; SMN2EPHX2KMT2AFAAH
SCHEMBL16149006 0.81 KMT2A (0.48) SMN1; SMN2KMT2AALDH1A1HPGDCYP2D6
SCHEMBL30423678 0.81 FAAH (0.52) KMT2AALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL8077436 0.81 FAAH (0.47) FAAH
SCHEMBL28742911 0.80 KMT2A (0.47) SMN1; SMN2KMT2AALDH1A1HPGDCYP2D6
SCHEMBL16672819 0.77 BIRC2 (0.48) KMT2AFAAH

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-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