SCHEMBL1369690

SCHEMBL1369690

CCP(=O)(CC)OCc1ccc(OC)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.50
AGXT P21549 2/20 0.50
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
MAPT P10636 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
APP P05067 5/20 0.44
MAOB P27338 1/20 0.43
FFAR1 O14842 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
SCHEMBL9017219 0.88 TSHR (0.43) AGXTALDH1A1MAPTNPC1RAB9A
SCHEMBL8049409 0.81 IDO1 (0.53) IDO1AGXTALDH1A1HTTMAPT
SCHEMBL25416123 0.81 RAB9A (0.47) AGXTALDH1A1MAPTNPC1RAB9A
SCHEMBL3765408 0.81 TSHR (0.50) IDO1AGXTALDH1A1HTTMAPT
SCHEMBL5521298 0.80 IDO1 (0.48) IDO1AGXTALDH1A1HTTMAPT
SCHEMBL5335331 0.79 TSHR (0.60) IDO1AGXTALDH1A1HTTMAPT
SCHEMBL20840419 0.79 IDO1 (0.57) IDO1AGXTALDH1A1HTTMAPT
SCHEMBL8389200 0.79 NPC1 (0.53) IDO1AGXTALDH1A1HTTMAPT
SCHEMBL27595468 0.79 IDO1 (0.57) IDO1AGXTALDH1A1HTTMAPT
SCHEMBL7110551 0.79 IDO1 (0.45) IDO1ALDH1A1MAPTPOLBAPP

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
US-20110286777-A1 LUBRICANT AND IMAGE FORMING APPARATUS AND PROCESS CARTRIDGE USING SAME RICOH COMPANY, LTD. (JP) 2011-11-24 US disclosed
CN-1620294-A Pyrimidine A2BSelective antagonist compounds, their synthesis and use OSI PHARM INC (US) 2005-05-25 CN disclosed