SCHEMBL9131815

SCHEMBL9131815

CO[C@H]1CC[C@@](OC)(c2cccc(Sc3ccc(N(C)C(C)=O)cc3)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 9/20 0.46
BACE1 P56817 2/20 0.36
DPP4 P27487 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PGR P06401 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 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
SCHEMBL9128773 1.00 ALOX5 (0.46) ALOX5BACE1DPP4HDAC3HDAC4
SCHEMBL9128782 1.00 ALOX5 (0.46) ALOX5BACE1DPP4HDAC3HDAC4
SCHEMBL9380927 0.85 ALOX5 (0.63) ALOX5
SCHEMBL9128036 0.80 ALOX5 (0.39) ALOX5DPP4
SCHEMBL9128046 0.80 ALOX5 (0.39) ALOX5DPP4
SCHEMBL9128042 0.80 ALOX5 (0.39) ALOX5DPP4
SCHEMBL9125728 0.80 ALOX5 (0.33) ALOX5DPP4PGR
SCHEMBL9125743 0.80 ALOX5 (0.33) ALOX5DPP4PGR
SCHEMBL9131746 0.80 ALOX5 (0.33) ALOX5DPP4PGR
SCHEMBL9128144 0.79 ALOX5 (0.48) ALOX5

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-5407959-A Antiallergens, antiinflammatory agents ABBOTT LABORATORIES (US) 1995-04-18 US disclosed