SCHEMBL28811118

SCHEMBL28811118

CCCCCCCCC(CCC)Oc1cc[c]cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.36
ALDH1A1 P00352 1/20 0.33
NR5A1 Q13285 1/20 0.32
CTRC Q99895 1/20 0.31
PRSS1 P07477 1/20 0.31
PRSS2 P07478 1/20 0.31
PRSS3 P35030 1/20 0.31
PLA2G2A P14555 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
SCHEMBL1007342 1.00 SLC2A1 (0.36) SLC2A1ALDH1A1NR5A1CTRCPRSS1
SCHEMBL1005265 1.00 SLC2A1 (0.36) SLC2A1ALDH1A1NR5A1CTRCPRSS1
SCHEMBL9116637 1.00 SLC2A1 (0.36) SLC2A1ALDH1A1NR5A1CTRCPRSS1
SCHEMBL1005061 0.89 PPARG (0.30)
SCHEMBL27574110 0.88 SLC2A1 (0.33) SLC2A1ALDH1A1CTRCPRSS1PRSS2
SCHEMBL9001273 0.84 SLC2A1 (0.46) SLC2A1NR5A1CTRCPLA2G2A
SCHEMBL28997989 0.83 LTA4H (0.43) SLC2A1ALDH1A1CTRCPRSS1PRSS2
SCHEMBL28280512 0.83 LTA4H (0.43) SLC2A1ALDH1A1CTRCPRSS1PRSS2
SCHEMBL28013972 0.83 LTA4H (0.43) SLC2A1ALDH1A1CTRCPRSS1PRSS2
SCHEMBL29239852 0.83 PRKCA (0.35) SLC2A1ALDH1A1

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-103834385-B water-soluble nanocrystal and chemical synthesis and application thereof TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-11-04 CN claimed
CN-103834385-A water-soluble nanocrystal and chemical synthesis and application thereof CHINESE ACAD TECH INST PHYSICS 2014-06-04 CN claimed
CN-103834385-B water-soluble nanocrystal and chemical synthesis and application thereof TECHNICAL INSTITUTE OF PHYSICS AND CHEMISTRY CHINESE ACADEMY OF SCIENCES (CN) 2015-11-04 CN disclosed
CN-103834385-A water-soluble nanocrystal and chemical synthesis and application thereof CHINESE ACAD TECH INST PHYSICS 2014-06-04 CN disclosed