SCHEMBL6928370

SCHEMBL6928370

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.45
ESR2 Q92731 4/20 0.45
ACHE P22303 3/20 0.38
HDAC4 P56524 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
PGK1 P00558 2/20 0.35
PGK2 P07205 2/20 0.35
NR4A2 P43354 1/20 0.35
KCNH2 Q12809 1/20 0.35
ALDH1A1 P00352 2/20 0.34
ALOX15 P16050 1/20 0.34
GAA P10253 1/20 0.34
SYK P43405 1/20 0.34
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
PTPRC P08575 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
SCHEMBL304190 0.92 ESR1 (0.50) ESR1ESR2ACHEHDAC4HDAC2
SCHEMBL4251026 0.87 ESR1 (0.52) ESR1ESR2ACHEHDAC4HDAC2
SCHEMBL3966160 0.85 HDAC8 (0.52) ESR1ESR2ACHEHDAC4HDAC2
SCHEMBL6933042 0.85 ESR1 (0.61) ESR1ESR2ACHEHDAC4HDAC2
SCHEMBL5591175 0.81 ESR1 (0.42) ESR1ESR2ACHEHDAC4HDAC2
SCHEMBL2761134 0.81 TSHR (0.50) ACHEALDH1A1GAA
SCHEMBL548600 0.80 KIF11 (0.50) ESR1ESR2ACHEHDAC4HDAC2
SCHEMBL547878 0.79 RXRB (0.49) ESR1ESR2NR4A2KCNH2SYK
SCHEMBL548247 0.78 ALDH1A1 (0.50) ESR1ESR2ACHEHDAC4HDAC2
SCHEMBL29381143 0.78 ALDH1A1 (0.50) ESR1ESR2ACHEHDAC4HDAC2

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