SCHEMBL8516680

SCHEMBL8516680

Cc1cccc(COCCOc2ccc(OCCOCc3cccc(C)c3)cc2)c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.55
IDO1 P14902 2/20 0.53
MAOA P21397 3/20 0.48
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
ACHE P22303 1/20 0.45
KDM4E B2RXH2 1/20 0.44
FFAR1 O14842 2/20 0.44

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
SCHEMBL17012171 0.92 MAOB (0.49) MAOBIDO1MAOAMAPK1TDP1
SCHEMBL9793384 0.91 MAOB (0.48) MAOBIDO1DRD2DRD4FFAR1
SCHEMBL8299779 0.82 IDO1 (0.56) MAOBIDO1MAOAACHE
SCHEMBL14228549 0.82 IDO1 (0.56) MAOBIDO1MAOAACHEFFAR1
SCHEMBL6667381 0.81 IDO1 (0.69) MAOBIDO1MAOAACHE
SCHEMBL10591328 0.81 IDO1 (0.55) MAOBIDO1MAOAACHE
SCHEMBL10204837 0.80 IDO1 (0.58) MAOBIDO1MAOAACHE
SCHEMBL257781 0.80 MAOB (0.69) MAOBIDO1MAOAACHEFFAR1
SCHEMBL15156233 0.79 MAOB (0.73) MAOBIDO1MAOAACHE
SCHEMBL10458306 0.79 IDO1 (0.56) MAOBIDO1MAOAACHE

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-0888906-A1 Thermosensitive reversible recording material Oji Paper Co., Ltd. (JP) 1999-01-07 EP disclosed