SCHEMBL8953700

SCHEMBL8953700

COC(c1cc(F)cc(SCc2ccc(N(C)C(C)=O)cc2)c1)C1CCOCC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
RORC P51449 2/20 0.31
HTR1A P08908 1/20 0.30
DRD2 P14416 1/20 0.30
HTR2A P28223 1/20 0.30
POLB P06746 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8953849 0.91 ALOX5 (0.33) ALOX5
SCHEMBL8953916 0.83 ALOX5 (0.37) ALOX5POLBSMN1; SMN2
SCHEMBL8953705 0.78 ALOX5 (0.36) ALOX5RORCHTR1ADRD2HTR2A
SCHEMBL8953733 0.76 ALOX5 (0.35) ALOX5HTR1ADRD2HTR2A
SCHEMBL8953837 0.76 ALOX5 (0.35) ALOX5HTR1ADRD2HTR2A
SCHEMBL8953842 0.76 ALOX5 (0.35) ALOX5SMN1; SMN2
SCHEMBL8953841 0.73 ACACA (0.41) ALOX5POLBSMN1; SMN2
SCHEMBL9129202 0.72 ALOX5 (0.39) ALOX5
SCHEMBL9129196 0.72 ALOX5 (0.39) ALOX5
SCHEMBL9129192 0.72 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