SCHEMBL3881865

SCHEMBL3881865

CCCc1c(OC)ccc2cc(C(=O)Nc3ccc(C[C@H](N)CO)cc3)c(=O)oc12

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.60
TP53 P04637 2/20 0.52
MAPT P10636 1/20 0.52
MAOB P27338 6/20 0.48
MAOA P21397 4/20 0.48
CNR2 P34972 4/20 0.46
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA5A P35218 1/20 0.42
CA7 P43166 1/20 0.42
CA5B Q9Y2D0 1/20 0.42

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
SCHEMBL3955101 1.00 S1PR1 (0.60) S1PR1TP53MAPTMAOBMAOA
SCHEMBL3955097 1.00 S1PR1 (0.60) S1PR1TP53MAPTMAOBMAOA
SCHEMBL3885592 0.93 TP53 (0.54) S1PR1TP53MAPTMAOBMAOA
SCHEMBL3880851 0.92 S1PR1 (0.61) S1PR1TP53MAPTMAOBMAOA
SCHEMBL3880374 0.90 S1PR1 (0.60) S1PR1TP53MAPTMAOBMAOA
SCHEMBL4515744 0.90 S1PR1 (0.62) S1PR1TP53MAPTMAOBMAOA
SCHEMBL3880282 0.90 S1PR1 (0.62) S1PR1TP53MAPTMAOBMAOA
SCHEMBL1654629 0.89 S1PR1 (0.66) S1PR1TP53MAPTMAOBMAOA
SCHEMBL3888192 0.88 S1PR1 (0.58) S1PR1TP53MAPTMAOBMAOA
SCHEMBL3880659 0.88 S1PR1 (0.65) S1PR1TP53MAPTMAOBMAOA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010511-A1 CHROMEN-2-ONE DERIVATIVES Novartis AG (CH) 2009-01-07 EP claimed
WO-2007115820-A1 CHROMEN-2-ONE DERIVATIVES NOVARTIS AG (CH) 2007-10-18 WO claimed