SCHEMBL4704085

SCHEMBL4704085

Cc1cc(CC=O)ccc1OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.63
FFAR1 O14842 5/20 0.50
RXRA P19793 1/20 0.50
RXRB P28702 1/20 0.50
RXRG P48443 1/20 0.50
MAPT P10636 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MRGPRX4 Q96LA9 5/20 0.48
PTGER4 P35408 1/20 0.45
PTGER2 P43116 1/20 0.45
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CDK4 P11802 1/20 0.45
CCNB1 P14635 1/20 0.45
CCND1 P24385 1/20 0.45

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
SCHEMBL10826146 0.85 SLC2A1 (0.54) MAPTL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL3950505 0.83 PTGER4 (0.62) MAPTNPC1RAB9ASMN1; SMN2PTGER4
SCHEMBL4747321 0.81 S1PR5 (0.54) FFAR4FFAR1MAPTL3MBTL1NPC1
SCHEMBL980151 0.81 MAOA (0.56) FFAR4RXRARXRBRXRGMAPT
SCHEMBL5783643 0.81 APP (0.47) FFAR4FFAR1MAPTL3MBTL1NPC1
SCHEMBL14573028 0.81 FFAR4 (0.67) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL13403395 0.81 LMNA (0.45) FFAR4FFAR1MAPTL3MBTL1NPC1
SCHEMBL10852995 0.81 FFAR4 (0.62) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL18587451 0.81 RXRA (0.53) FFAR4FFAR1RXRARXRBRXRG
SCHEMBL6886238 0.80 L3MBTL1 (0.47) FFAR4RXRARXRBRXRGMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948617-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS Exelixis, Inc. (US) 2008-07-30 EP disclosed
WO-2007048065-A2 PYRIMIDINONES AS CASEIN KINASE II (CK2) MODULATORS EXELIXIS, INC. (US) 2007-04-26 WO disclosed
EP-1673366-A1 1-\"2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL]-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS Pfizer, Inc. (US) 2006-06-28 EP disclosed
WO-2005035522-A1 1-‘2-(4-HYDROXYPHENYL)-2-HYDROXYETHYL!-PIPERIDIN-4-OL COMPOUNDS AS NMDA RECEPTOR ANTAGONISTS PFIZER JAPAN, INC. (JP) 2005-04-21 WO disclosed