SCHEMBL28685495

SCHEMBL28685495

OCCCc1csc(Sc2cc(CCCO)cs2)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.34
CA2 P00918 1/20 0.32
LTB4R Q15722 2/20 0.31
CYP4A11 Q02928 1/20 0.31
DAO P14920 1/20 0.31
LTA4H P09960 1/20 0.30
EPHX2 P34913 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL29105021 0.92 CA2 (0.36) CA2LTB4RCYP4A11DAO
SCHEMBL7581092 0.87 TDP1 (0.36) CA2DAO
SCHEMBL29105022 0.78 LTB4R (0.33) CA2LTB4RCYP4A11
SCHEMBL86601 0.75 TNKS2 (0.38) TNKS2CA2LTB4RCYP4A11DAO
SCHEMBL28685496 0.75 TNKS2 (0.34) TNKS2CA2LTB4RCYP4A11DAO
SCHEMBL28556349 0.71 LTB4R (0.36) TNKS2CA2LTB4RCYP4A11DAO
SCHEMBL13267737 0.69 TNKS2 (0.50) TNKS2CA2CYP4A11LTA4HEPHX2
SCHEMBL24670388 0.68 CA2 (0.50) CA2
SCHEMBL11246537 0.68 HPGD (0.37) CA2
SCHEMBL28932452 0.67 HTR1A (0.34)

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-110452629-B Vulcanized reflective cloth for bicycle tire 浙江夜光明光电科技股份有限公司 2022-01-07 CN disclosed