SCHEMBL18601418

SCHEMBL18601418

CC(C)N1CC(O)=C(C(=O)c2ccc(Cc3ccc(F)cc3)[nH]2)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.31
DAO P14920 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
POLB P06746 1/20 0.30
BRS3 P32247 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
SCHEMBL752780 0.81 LIPG (0.36) DAO
SCHEMBL752766 0.71 DAO (0.41) DAOPOLBBRS3
SCHEMBL18601419 0.70 ALDH1A1 (0.30)
SCHEMBL28750701 0.69 CHRNA7 (0.40) DAOPOLB
SCHEMBL7188309 0.63 HAO1 (0.39) DAOBRS3
SCHEMBL4670505 0.62 DAO (0.36) DAOBRS3
SCHEMBL765079 0.61 DAO (0.35) DAOBRS3
SCHEMBL753017 0.60 CA12 (0.39) DAOBRS3
SCHEMBL16016396 0.60 LMNA (0.47) DAO
SCHEMBL1564336 0.60 PKM (0.45) DAO

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-2266958-B1 Antiviral agent SHIONOGI & CO (JP) 2017-03-15 EP disclosed