SCHEMBL8527009

SCHEMBL8527009

CON=C(C(=O)N(C)Cc1cc(C2CC(C)c3ccccc32)ccc1O)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.35
SLC6A2 P23975 6/20 0.33
SLC6A3 Q01959 6/20 0.33
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAOA P21397 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
SCHEMBL8529282 0.81 KIF11 (0.34) ALDH1A1GAAMAPT
SCHEMBL8530606 0.79 KIF11 (0.35) SLC6A4ALDH1A1
SCHEMBL8526541 0.79 KMT2A (0.34) SLC6A4SLC6A2SLC6A3
SCHEMBL8527412 0.72 SMN1; SMN2 (0.34) ALDH1A1MAPT
SCHEMBL8527784 0.70 PIN1 (0.33)
SCHEMBL27795570 0.69 GAA (0.38) GAA
SCHEMBL28843586 0.67 SMN1; SMN2 (0.38) ALDH1A1GAA
SCHEMBL28306248 0.67 PARP1 (0.46) SLC6A4SLC6A2SLC6A3
SCHEMBL8527416 0.65 KDM4E (0.38) ALDH1A1GAAMAPT
SCHEMBL31209958 0.64 GAA (0.36) GAA

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