SCHEMBL11585652

SCHEMBL11585652

COc1cc(C=CCN2Cc3ccccc3C2)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
TAAR1 Q96RJ0 1/20 0.53
HPGD P15428 2/20 0.52
TYR P14679 2/20 0.51
APP P05067 4/20 0.50
GAA P10253 4/20 0.50
TTR P02766 1/20 0.50
MAOA P21397 2/20 0.49
CYP2D6 P10635 3/20 0.49
NFE2L2 Q16236 3/20 0.49
ALOX5 P09917 3/20 0.49
CYP2C9 P11712 2/20 0.49
TSHR P16473 2/20 0.49
HSD17B10 Q99714 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49

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
SCHEMBL11585649 1.00 MAPT (0.53) MAPTKDM4EALDH1A1HTTNPSR1
Maleic Acid SCHEMBL11586744 0.92 KDM4E (0.58) MAPTKDM4EALDH1A1HTTNPSR1
Maleic Acid SCHEMBL11586747 0.92 KDM4E (0.58) MAPTKDM4EALDH1A1HTTNPSR1
SCHEMBL11585626 0.88 APP (0.57) MAPTKDM4EALDH1A1APPTTR
SCHEMBL11585622 0.88 APP (0.57) MAPTKDM4EALDH1A1APPTTR
SCHEMBL11585613 0.84 ALDH1A1 (0.51) MAPTKDM4EALDH1A1NPSR1HPGD
SCHEMBL11585615 0.84 ALDH1A1 (0.51) MAPTKDM4EALDH1A1NPSR1HPGD
Maleic Acid SCHEMBL11588067 0.82 ALDH1A1 (0.56) MAPTKDM4EALDH1A1HPGDAPP
Maleic Acid SCHEMBL11588068 0.82 ALDH1A1 (0.56) MAPTKDM4EALDH1A1HPGDAPP
SCHEMBL3364855 0.82 APP (0.62) MAPTKDM4EALDH1A1HTTNPSR1

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
US-4115398-A CARDIOVASCULAR DISORDERS KOWA COMPANY LTD. (JP) 1978-09-19 US disclosed