SCHEMBL8623765

SCHEMBL8623765

Cl/C=C/Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.41
TSHR P16473 2/20 0.41
CA4 P22748 1/20 0.38
KCNA3 P22001 1/20 0.35
CA5A P35218 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
NR1H2 P55055 1/20 0.32
BAX Q07812 1/20 0.32
MAOA P21397 1/20 0.32
GAA P10253 2/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31
AOC3 Q16853 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RECQL P46063 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
SRC P12931 1/20 0.31

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
SCHEMBL8623766 1.00 LTA4H (0.41) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL16782647 0.83 LTA4H (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL2818333 0.83 LTA4H (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL2818335 0.83 LTA4H (0.50) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL11559191 0.78 LTA4H (0.42) LTA4HTSHRCA4KCNA3NR1H2
SCHEMBL11541789 0.78 LTA4H (0.45) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL11541783 0.78 LTA4H (0.45) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL1059417 0.78
SCHEMBL29049622 0.76 LTA4H (0.43) LTA4HTSHRCA4KCNA3CA5A
SCHEMBL29940586 0.76 LTA4H (0.43) LTA4HTSHRCA4KCNA3CA5A

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
US-5739378-A Complex hydrophobe-containing oligomers UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1998-04-14 US disclosed