SCHEMBL3467480

SCHEMBL3467480

O=C(O)CCC1Cc2ccccc2NC1=O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
BRD4 O60885 1/20 0.43
CREBBP Q92793 1/20 0.43
AHR P35869 1/20 0.42
PDK2 Q15119 1/20 0.42
PYGL P06737 2/20 0.41
PYGM P11217 1/20 0.41
GLA P06280 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDR P35968 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL3710805 0.86 HSD17B10 (0.49) EGFRMAPTGAAALDH1A1CYP1A2
SCHEMBL10789976 0.82 IDO1 (0.46) GAAALDH1A1BRD4CREBBPGLA
SCHEMBL16399613 0.81 CREBBP (0.47) MAPTGAABRD4CREBBPAHR
SCHEMBL16399610 0.79 CREBBP (0.49) MAPTGAAALDH1A1BRD4CREBBP
SCHEMBL5140200 0.79 ALDH1A1 (0.45) MAPTGAAALDH1A1BRD4CREBBP
SCHEMBL30563086 0.79 ALDH1A1 (0.45) MAPTGAAALDH1A1BRD4CREBBP
SCHEMBL2092913 0.78 CREBBP (0.51) MAPTGAABRD4CREBBPAHR
SCHEMBL28119208 0.78 CREBBP (0.47) MAPTGAAALDH1A1BRD4CREBBP
SCHEMBL7423254 0.78 CREBBP (0.51) MAPTGAABRD4CREBBPAHR
SCHEMBL30169994 0.77 IDO1 (0.58) MAPTGAABRD4CREBBPPYGL

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
WO-2010074807-A1 3, 4-DIHYDROQUINOLIN-2 ( 1H ) -ONE DERIVATIVES AS SODIUM CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2010-07-01 WO disclosed
US-4677112-A 1,2,3,4-tetrahydro-2-oxo-8-quinolineacetic and -propanoic acids and derivatives as cognition activators WARNER-LAMBERT COMPANY (US) 1987-06-30 US disclosed