SCHEMBL9781817

SCHEMBL9781817

CN(O)C(=O)NCCc1cccc(Oc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 5/20 0.59
GLI1 P08151 1/20 0.52
GLI2 P10070 1/20 0.52
PLAAT3 P53816 2/20 0.51
PLAAT5 Q96KN8 2/20 0.51
PLAAT2 Q9NWW9 2/20 0.51
PLAAT4 Q9UL19 2/20 0.51
FFAR1 O14842 2/20 0.51
AKR1C3 P42330 1/20 0.51
ACHE P22303 1/20 0.50
CYP2D6 P10635 1/20 0.50
PTGES O14684 1/20 0.50

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
SCHEMBL2772929 0.84 FDFT1 (0.66) FDFT1GLI1GLI2PLAAT3PLAAT5
SCHEMBL10106169 0.82 MTNR1A (0.68) FDFT1AKR1C3
SCHEMBL17040294 0.81 GLI1 (0.64) FDFT1GLI1GLI2PLAAT3PLAAT5
SCHEMBL5354570 0.79 FDFT1 (0.57) FDFT1GLI1GLI2PLAAT3PLAAT5
SCHEMBL17037435 0.79 GLI1 (0.61) FDFT1GLI1GLI2PLAAT3PLAAT5
SCHEMBL9666803 0.79 CES2 (0.53)
SCHEMBL24708505 0.78 SMN1; SMN2 (0.61) FDFT1GLI1GLI2PLAAT3PLAAT5
SCHEMBL2774246 0.77 FDFT1 (0.61) FDFT1GLI1GLI2PLAAT3PLAAT5
SCHEMBL4527233 0.76 FDFT1 (0.60) FDFT1GLI1GLI2PLAAT3PLAAT5
SCHEMBL9782174 0.76 CNR1 (0.52) CYP2D6

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-5066658-A Enzyme Inhibitors; Bronchodilators; Antiinflammatory Agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-11-19 US disclosed