SCHEMBL6546952

SCHEMBL6546952

Cc1ccc(C=CCc2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 2/20 0.46
RELA Q04206 1/20 0.43
CA1 P00915 1/20 0.43
AGXT P21549 2/20 0.41
IDO1 P14902 1/20 0.41
CYP2A6 P11509 1/20 0.41
FBP1 P09467 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
KCNH2 Q12809 1/20 0.40
MAPT P10636 1/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
CYP4F2 P78329 1/20 0.39

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
SCHEMBL28508047 1.00 NFE2L2 (0.46) NFE2L2RELACA1AGXTIDO1
SCHEMBL6546619 0.92 ALOX5 (0.47) NFE2L2RELACA1AGXTIDO1
SCHEMBL6546853 0.92 ALOX5 (0.47) NFE2L2RELACA1AGXTIDO1
SCHEMBL3847305 0.90 MAOB (0.54) NFE2L2CA1MAPT
SCHEMBL3844786 0.90 MAOB (0.48) IDO1MAPTRAB9AKMT2AMEN1
SCHEMBL29465773 0.89 TSHR (0.54) NFE2L2PTGS1PTGS2MAPTRAB9A
SCHEMBL9955019 0.87 RELA (0.67) RELAALOX5PTGS2MAPTRAB9A
SCHEMBL9955015 0.87 RELA (0.67) RELAALOX5PTGS2MAPTRAB9A
SCHEMBL11115079 0.83 ACHE (0.56) NFE2L2FBP1PTGS1PTGS2MAPT
SCHEMBL11115082 0.83 ACHE (0.56) NFE2L2FBP1PTGS1PTGS2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115636782-B Synthesis method of polyaryl substituted pyridine 浙江工业大学 2024-07-19 CN disclosed
CN-115636782-A Synthetic method of polyaryl substituted pyridine 浙江工业大学 2023-01-24 CN disclosed
EP-0717098-B1 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON MITSUBISHI OIL CORP (JP) 2004-01-21 EP disclosed
US-5817251-A AROMATIC HYDROCARBON LUBRICANT NIPPON OIL CO., LTD. (JP) 1998-10-06 US disclosed
US-5711895-A Fluid composition for use in a refrigerating machine in which the refrigerating machine oil is at least one hydrocarbon compound of a formula consisting of two phenyl groups joined through an alkylene or alkenylene group NIPPON OIL CO., LTD. (JP) 1998-01-27 US disclosed
EP-0717098-A2 A refrigerating machine oil and a fluid composition for use in a refrigerating machine NIPPON OIL CO. LTD. (JP) 1996-06-19 EP disclosed