SCHEMBL5169799

SCHEMBL5169799

CC(N)(CO)CCc1ccc(CC#CCOCc2ccc(F)cc2)s1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.36
S1PR1 P21453 1/20 0.32
IDO1 P14902 1/20 0.30
AGXT P21549 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
SCHEMBL5166335 0.86 ALOX5 (0.40) ALOX5S1PR1
SCHEMBL6305599 0.78 ALOX5 (0.39) ALOX5S1PR1
SCHEMBL5166026 0.76 S1PR1 (0.32) S1PR1
SCHEMBL5166283 0.76 KCNH2 (0.33) S1PR1AGXT
SCHEMBL5167036 0.76 IDO1 (0.34) ALOX5S1PR1IDO1
SCHEMBL6305488 0.75 TNNC1 (0.43) S1PR1
SCHEMBL5167129 0.75 KDM4E (0.39)
SCHEMBL5179483 0.74 HDAC4 (0.38) IDO1AGXT
SCHEMBL5167502 0.74 ALOX5 (0.40) ALOX5
SCHEMBL5165955 0.73 S1PR1 (0.32) S1PR1

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
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed