SCHEMBL8529282

SCHEMBL8529282

CON=C(C(=O)N(C)Cc1cc(C2CCc3c(C)cccc32)ccc1O)c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.34
HSP90AA1 P07900 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 1/20 0.31
FFAR1 O14842 1/20 0.30
PTGIR P43119 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL8530606 0.84 KIF11 (0.35) KIF11ALDH1A1
SCHEMBL8526541 0.84 KMT2A (0.34)
SCHEMBL8527009 0.81 SLC6A4 (0.35) ALDH1A1GAAMAPT
SCHEMBL8527784 0.69 PIN1 (0.33)
SCHEMBL8529279 0.67 HIF1A (0.45) ADRA2AADRA1AFFAR1
SCHEMBL27795570 0.66 GAA (0.38) GAA
SCHEMBL8530048 0.63 ADRA2A (0.51) KIF11ADRA2AADRA2BADRA2CADRA1D
SCHEMBL31209958 0.62 GAA (0.36) GAA
SCHEMBL8537307 0.61 TSHR (0.42) ALDH1A1GAAMAPT
SCHEMBL27832247 0.61 TSHR (0.42) ALDH1A1GAAMAPT

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-5739140-A AGRICULTURAL FUNGICIDES MONSANTO COMPANY (US) 1998-04-14 US disclosed