SCHEMBL27822845

SCHEMBL27822845

CCCCOc1[c]c2ccc(I)cc2cc1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
CNR2 P34972 1/20 0.31
LTA4H P09960 1/20 0.30
MCHR1 Q99705 1/20 0.30
TLR8 Q9NR97 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
SCHEMBL27802182 0.82 LMNA (0.36) CA12CA1CA2CA3CA4
SCHEMBL27822807 0.79 ALDH1A1 (0.31) TLR8
SCHEMBL2256189 0.78 L3MBTL1 (0.41) CNR2LTA4HMCHR1TLR8
SCHEMBL2253966 0.77 LTA4H (0.41) CA12CA1CA2CA3CA4
SCHEMBL27822869 0.76
SCHEMBL27822820 0.75 APP (0.42) CA12CA1CA2CA3CA4
SCHEMBL27822814 0.75 MCHR1 (0.31) MCHR1
SCHEMBL1396371 0.73 LTA4H (0.41) CNR2LTA4HMCHR1TLR8
SCHEMBL27802203 0.73
SCHEMBL27822801 0.73

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-101977883-A Process for production of 2-hydroxyaryl aldehyde compound NISSAN CHEMICAL IND LTD 2011-02-16 CN disclosed