SCHEMBL9129202

SCHEMBL9129202

COC1CCC(OC)(c2cc(F)cc(SCc3ccc(N(C)C(C)=O)cc3)c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 11/20 0.39
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL9129192 1.00 ALOX5 (0.39) ALOX5SLC6A4SLC6A3
SCHEMBL9129196 1.00 ALOX5 (0.39) ALOX5SLC6A4SLC6A3
SCHEMBL9127772 0.82 ALOX5 (0.47) ALOX5
SCHEMBL9128357 0.82 ALOX5 (0.36) ALOX5
SCHEMBL9127762 0.82 ALOX5 (0.47) ALOX5
SCHEMBL9127767 0.82 ALOX5 (0.47) ALOX5
SCHEMBL9128373 0.82 ALOX5 (0.36) ALOX5
SCHEMBL9128353 0.82 ALOX5 (0.36) ALOX5
SCHEMBL9259112 0.79 ALOX5 (0.43) ALOX5
SCHEMBL9131815 0.75 ALOX5 (0.46) ALOX5SLC6A4SLC6A3

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