SCHEMBL2314296

SCHEMBL2314296

OCCc1cc(CCO)c2[nH]c3ccccc3c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
KDM4E B2RXH2 5/20 0.43
POLB P06746 1/20 0.40
HSD17B10 Q99714 2/20 0.39
GPR3 P46089 1/20 0.39
MAPT P10636 3/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
APP P05067 1/20 0.39
AHR P35869 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KIF11 P52732 3/20 0.38
PDE5A O76074 1/20 0.38
FTO Q9C0B1 1/20 0.37

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
SCHEMBL573589 0.80 KIF11 (0.50) ALDH1A1TSHRHTTKDM4EPOLB
SCHEMBL28183977 0.80 KIF11 (0.51) ALDH1A1TSHRHTTKDM4EPOLB
SCHEMBL2316178 0.78 ALDH1A1 (0.44) ALDH1A1TSHRHTTKDM4EPOLB
SCHEMBL27862470 0.78 CTSV (0.48) ALDH1A1TSHRHTTKDM4EHSD17B10
SCHEMBL2309770 0.77 AR (0.41) ALDH1A1TSHRHTTKDM4EHSD17B10
SCHEMBL2311195 0.77 AHR (0.53) ALDH1A1TSHRHTTKDM4EPOLB
SCHEMBL2311073 0.74 MAOA (0.43) ALDH1A1TSHRHTTKDM4EMAPT
SCHEMBL2311817 0.73 AHR (0.59) ALDH1A1TSHRHTTKDM4EPOLB
SCHEMBL2312163 0.73 KIF11 (0.64) ALDH1A1TSHRHTTKDM4EPOLB
SCHEMBL2313393 0.73 ALDH1A1 (0.53) ALDH1A1TSHRHTTKDM4EPOLB

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