SCHEMBL8953705

SCHEMBL8953705

CC(=O)N(C)c1ccc(CSc2cc(F)cc(COCC3CCOCC3)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
RORC P51449 10/20 0.33
IL17A Q16552 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
ACACB O00763 1/20 0.31
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 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
SCHEMBL8953855 0.91 RORC (0.31) RORC
SCHEMBL8953852 0.90 HDAC3 (0.32) RORCIL17AHDAC3HDAC1HDAC2
SCHEMBL8953917 0.83 ALOX5 (0.38) ALOX5ACACBHTR1ADRD2HTR2A
SCHEMBL8953700 0.78 ALOX5 (0.40) ALOX5RORCHTR1ADRD2HTR2A
SCHEMBL8953837 0.77 ALOX5 (0.35) ALOX5HTR1ADRD2HTR2A
SCHEMBL8953733 0.77 ALOX5 (0.35) ALOX5HTR1ADRD2HTR2A
SCHEMBL8953842 0.76 ALOX5 (0.35) ALOX5
SCHEMBL8953851 0.74 SLC2A1 (0.43)
SCHEMBL9129196 0.70 ALOX5 (0.39) ALOX5
SCHEMBL9129202 0.70 ALOX5 (0.39) 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-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed