SCHEMBL27745853

SCHEMBL27745853

CC(C)(C)OC(=O)N1[C@@H](CCCCOCc2ccccc2)COC1(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.45
SPHK1 Q9NYA1 1/20 0.40
KLK7 P49862 1/20 0.39
EPHX2 P34913 2/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
GPR119 Q8TDV5 1/20 0.37
STS P08842 1/20 0.37
GBA1 P04062 2/20 0.36
UGCG Q16739 2/20 0.36
GBA2 Q9HCG7 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
HSD11B2 P80365 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL13040194 1.00 L3MBTL1 (0.45) L3MBTL1SPHK1KLK7EPHX2KEAP1
SCHEMBL1836163 0.93 SPHK1 (0.42) L3MBTL1SPHK1KLK7GPR119STS
SCHEMBL1836162 0.93 SPHK1 (0.42) L3MBTL1SPHK1KLK7GPR119STS
SCHEMBL27847181 0.88 EPHX2 (0.42) L3MBTL1EPHX2GBA1UGCGGBA2
SCHEMBL16545983 0.86 SPHK1 (0.41) SPHK1KLK7GPR119STSKDM4E
SCHEMBL17819587 0.86 SPHK1 (0.41) SPHK1KLK7GPR119STSKDM4E
SCHEMBL8560675 0.86 KLK7 (0.39) L3MBTL1SPHK1KLK7GPR119STS
SCHEMBL8560670 0.86 KLK7 (0.39) L3MBTL1SPHK1KLK7GPR119STS
SCHEMBL14338696 0.85 SPHK1 (0.42) SPHK1KEAP1NFE2L2GPR119STS
SCHEMBL14350826 0.85 SPHK1 (0.42) SPHK1KEAP1NFE2L2GPR119STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101289426-A Process for preparing restraining agent for leishmaniasis UNIV FUDAN (CN) 2008-10-22 CN disclosed