SCHEMBL8307301

SCHEMBL8307301

CN(C)C=C(C(=O)c1ccc(F)c2c1SCCCO2)C(=O)C1CC1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.31
CYP11B2 P19099 2/20 0.31
HTR1A P08908 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
SCHEMBL8310664 0.80 ALDH1A1 (0.39) CYP11B1CYP11B2
SCHEMBL8311196 0.78 CYP11B1 (0.31) CYP11B1
SCHEMBL8307957 0.77
SCHEMBL8310035 0.76
SCHEMBL9241961 0.75
SCHEMBL8307928 0.75
SCHEMBL8525067 0.74 HCRTR1 (0.31)
SCHEMBL8310551 0.73 HTR1A (0.32) HTR1A
SCHEMBL8310526 0.73 NPC1 (0.36) HTR1A
SCHEMBL8306726 0.71 KDM4E (0.34) HTR1A

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-0918056-A1 Herbicides RHONE-POULENC AGRICULTURE LTD. (GB) 1999-05-26 EP disclosed