SCHEMBL11078764

SCHEMBL11078764

CCOC(=O)C(CC)c1cccc(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRB1 P08588 1/20 0.44
MIF P14174 1/20 0.44
HTR2A P28223 1/20 0.44
ADRA1A P35348 1/20 0.44
HTR2B P41595 1/20 0.44
LMNA P02545 4/20 0.43
KDM4E B2RXH2 3/20 0.43
HIF1A Q16665 2/20 0.43
SLC22A1 O15245 1/20 0.43
OPRM1 P35372 1/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GALR3 O60755 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 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
SCHEMBL2847713 0.87 LMNA (0.46) GAATDP1ADRB1ADRA1ALMNA
SCHEMBL28140070 0.86 SLC22A1 (0.42) GAATDP1ADRB1MIFHTR2A
SCHEMBL18496734 0.83 OPRD1 (0.44) ADRB1MIFHTR2AADRA1AHTR2B
SCHEMBL15270484 0.83 MMP8 (0.44) GAATDP1LMNAKDM4EPKM
SCHEMBL3905021 0.82 ADRB1 (0.45) GAAADRB1MIFHTR2AADRA1A
SCHEMBL5212783 0.82 KYNU (0.49) GAAADRB1MIFHTR2AADRA1A
SCHEMBL31074078 0.82 ADRB1 (0.45) GAAADRB1MIFHTR2AADRA1A
SCHEMBL5212789 0.82 KYNU (0.49) GAAADRB1MIFHTR2AADRA1A
SCHEMBL29687004 0.81 KYNU (0.51) GAAADRB1ADRA1ALMNAKDM4E
SCHEMBL1820061 0.81 KYNU (0.51) GAAADRB1ADRA1ALMNAKDM4E

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-4450115-A ADRENERGIC BLOCKING AGENTS; HYPOTENSIVE AND CARDIOTONIC AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1984-05-22 US disclosed
US-4381398-A Amino-alcohol derivatives KYOWA HAKKO KOGYO CO., LTD. (JP) 1983-04-26 US disclosed