SCHEMBL11280233

SCHEMBL11280233

Cc1cc(CN2CCCCC2)cc(CN2CCCCC2)c1O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.55
ALDH1A1 P00352 8/20 0.55
GAA P10253 5/20 0.55
TDP1 Q9NUW8 3/20 0.55
MAPT P10636 4/20 0.55
MAPK1 P28482 3/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
TSHR P16473 2/20 0.48
HSD17B10 Q99714 4/20 0.47
HIF1A Q16665 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
GLA P06280 4/20 0.46
HPGD P15428 3/20 0.46
RCE1 Q9Y256 1/20 0.46
HRH3 Q9Y5N1 1/20 0.46

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
SCHEMBL7735651 0.90 KDM4E (0.62) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL3380016 0.88 KDM4E (0.59) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL10008027 0.88 ALDH1A1 (0.59) KDM4EALDH1A1GAATDP1TSHR
SCHEMBL10011199 0.86 ALDH1A1 (0.56) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL11657302 0.85 MAPT (0.56) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL11279318 0.84 MAPT (0.59) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL9734904 0.80 MAPK1 (0.43) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL8843500 0.79 ALDH1A1 (0.58) KDM4EALDH1A1GAATDP1MAPT
SCHEMBL11821789 0.79 ALDH1A1 (0.54) KDM4EALDH1A1GAATDP1MAPT
Bromide SCHEMBL8843652 0.78 ALDH1A1 (0.57) KDM4EALDH1A1GAATDP1MAPT

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-4322304-A ANTIOXIDANTS PHILLIPS PETROLEUM COMPANY (US) 1982-03-30 US disclosed