SCHEMBL2311073

SCHEMBL2311073

OCCc1ccc2c(c1)[nH]c1c(CCO)cccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.43
DYRK1A Q13627 3/20 0.43
KIF11 P52732 3/20 0.41
KDM4E B2RXH2 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
MAPT P10636 2/20 0.36
ALOX5 P09917 1/20 0.36
GAA P10253 1/20 0.36
BACE1 P56817 1/20 0.36
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BTK Q06187 2/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
FEN1 P39748 1/20 0.33

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
SCHEMBL2309770 0.88 AR (0.41) KIF11KDM4EALDH1A1CCNE2CDK4
SCHEMBL573589 0.82 KIF11 (0.50) MAOAKIF11KDM4EALDH1A1MAPT
SCHEMBL2309752 0.80 CCNE2 (0.44) KIF11KDM4EALDH1A1CCNE2CDK4
SCHEMBL2313068 0.80 KIF11 (0.48) MAOADYRK1AKIF11KDM4EALDH1A1
SCHEMBL2312163 0.79 KIF11 (0.64) KIF11KDM4EALDH1A1TSHRHTT
SCHEMBL2315719 0.79 MAPT (0.44) KIF11KDM4EALDH1A1MAPTALOX5
SCHEMBL2311064 0.74 CDK4 (0.42) DYRK1AKDM4EALDH1A1CCNE2CDK4
SCHEMBL2314296 0.74 ALDH1A1 (0.44) KIF11KDM4EALDH1A1MAPTMAPK1
SCHEMBL2307656 0.74 ALDH1A1 (0.49) MAOADYRK1AKIF11KDM4EALDH1A1
SCHEMBL28657502 0.71 KDM4E (0.59) KIF11KDM4EALDH1A1MAPTMAPK1

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-7989517-B2 Actinic ray curable composition, actinic ray curable ink, and image formation process employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2011-08-02 US disclosed
US-20070123600-A1 ACTINIC RAY CURABLE COMPOSITION, ACTINIC RAY CURABLE INK, AND IMAGE FORMATION PROCESS EMPLOYING THE SAME KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2007-05-31 US disclosed