SCHEMBL6933304

SCHEMBL6933304

CC(C)(O)c1cccc(C(c2cccc(C(C)(C)O)c2)c2cccc(C(C)(C)O)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
OPRD1 P41143 1/20 0.36
ACHE P22303 2/20 0.35
CES2 O00748 1/20 0.35
ACP3 P15309 1/20 0.35
HDAC4 P56524 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
KIF11 P52732 2/20 0.33
NLRP3 Q96P20 1/20 0.33
NR4A2 P43354 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTPN5 P54829 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
SYK P43405 1/20 0.32
CETP P11597 1/20 0.32

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
SCHEMBL3370465 0.85 KIF11 (0.46) PNMTESR1ESR2OPRD1ACHE
SCHEMBL31095742 0.85 KIF11 (0.46) PNMTESR1ESR2OPRD1ACHE
Hydrogen Peroxide SCHEMBL29420463 0.83 KIF11 (0.49) PNMTOPRD1ACP3HDAC4HDAC2
Hydrogen Peroxide SCHEMBL9060387 0.83 KIF11 (0.49) PNMTOPRD1ACP3HDAC4HDAC2
SCHEMBL23520737 0.82 PDE2A (0.39) PNMTESR1ESR2KIF11NLRP3
SCHEMBL28827061 0.82 PNMT (0.35) PNMTESR1ESR2OPRD1ACHE
SCHEMBL304190 0.81 ESR1 (0.50) ESR1ESR2ACHEHDAC4HDAC2
SCHEMBL9454249 0.80 CES2 (0.35) PNMTESR1ESR2OPRD1ACHE
SCHEMBL13915489 0.79 HDAC4 (0.51) PNMTHDAC4HDAC2HDAC8KIF11
SCHEMBL3145951 0.77 PTGS1 (0.54)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911153-B1 Image forming method KONISHIROKU PHOTO IND (JP) 2003-12-10 EP disclosed
US-6174646-B1 IMAGEWISE HEATING OR EXPOSING IMAGE FORMING MATERIAL TO LASER WHEREIN IMAGE FORMING MATERIAL COMPRISES SUPPORT HAVING RADIATION SENSITIVE LAYER CONTAINING DYE, AN ACID GENERATING COMPOUND CAPABLE OF GENERATING ACID ON IRRADIATION KONICA CORPORATION (JP) 2001-01-16 US disclosed
EP-0911153-A1 Image forming method KONICA CORPORATION (JP) 1999-04-28 EP disclosed