SCHEMBL27652011

SCHEMBL27652011

CCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC.Cc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.77
TSHR P16473 6/20 0.77
LMNA P02545 3/20 0.77
MAPK1 P28482 3/20 0.74
CYP3A4 P08684 2/20 0.74
TP53 P04637 1/20 0.74
L3MBTL1 Q9Y468 3/20 0.67
TDP1 Q9NUW8 2/20 0.67
KDM4E B2RXH2 3/20 0.63
HSD17B10 Q99714 2/20 0.63
POLB P06746 1/20 0.63
MAPT P10636 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PTPN11 Q06124 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
PPARA Q07869 1/20 0.50
GPR35 Q9HC97 1/20 0.50
PRSS1 P07477 1/20 0.50
PRSS2 P07478 1/20 0.50

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
SCHEMBL28846625 0.96 ALDH1A1 (0.69) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL6401287 0.91 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
Phthalic Acid SCHEMBL3055300 0.91 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
Phthalic Acid SCHEMBL5568472 0.91 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL149076 0.91 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL6398748 0.91 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL6405052 0.91 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL19810345 0.91 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
Phthalic Acid SCHEMBL10957158 0.91 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL2372129 0.91 ALDH1A1 (0.87) ALDH1A1TSHRLMNAMAPK1CYP3A4

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-1934743-A Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2007-03-21 CN claimed
CN-1934743-A Nonaqueous electrolyte solution and lithium secondary battery using same UBE INDUSTRIES (JP) 2007-03-21 CN disclosed