SCHEMBL5963599

SCHEMBL5963599

O=C1CCCC(CC2CCCCC2)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CTSD P07339 2/20 0.38
MMP1 P03956 4/20 0.36
MMP9 P14780 3/20 0.36
MMP7 P09237 2/20 0.36
MMP3 P08254 1/20 0.36
PLG P00747 1/20 0.35
TACR2 P21452 1/20 0.34
DAO P14920 2/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
PARP15 Q460N3 1/20 0.30
PARP10 Q53GL7 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL6966406 0.96 CTSD (0.40) NOS1NOS2CTSDMMP1MMP9
SCHEMBL22190390 0.90 MMP1 (0.36) NOS1NOS2CTSDMMP1MMP9
SCHEMBL4019894 0.84 CRBN (0.36) CTSDKMT2ACRBN
SCHEMBL29742940 0.78 KMT2A (0.35) CTSDKMT2ACRBN
SCHEMBL8745896 0.78 ITGB1 (0.42) NOS1NOS2CTSDMMP1MMP9
SCHEMBL6967333 0.77 NOS1 (0.38) NOS1NOS2PLGMEN1MAPT
Hydrochloric Acid SCHEMBL6967329 0.76 NOS1 (0.37) NOS1NOS2MEN1MAPTKMT2A
SCHEMBL16611587 0.75
SCHEMBL6974131 0.74 TP53 (0.31)
SCHEMBL23604222 0.74

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
CN-1317790-C Nonaqueous electrolyte and secondary lithium battery using the same MITSUBISHI CHEM CORP (JP) 2007-05-23 CN disclosed
US-20060172201-A1 Non-aqueous electrolyte and lithium secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2006-08-03 US disclosed
EP-1357628-A1 NONAQUEOUS ELECTROLYTIC LIQUIDS AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-10-29 EP disclosed
CN-1411619-A Nonaqueous electrolyte and secondary lithium battery using the same MITSUBISHI CHEM CORP (JP) 2003-04-16 CN disclosed