SCHEMBL6933846

SCHEMBL6933846

CC(C)(O)c1ccc(C(c2ccc(C(C)(C)O)cc2)c2ccc(C(C)(C)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 1/20 0.43
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
HIF1A Q16665 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 2/20 0.36
KCNH2 Q12809 1/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
TYR P14679 1/20 0.35
ESR1 P03372 1/20 0.35
CYP3A4 P08684 1/20 0.35
AR P10275 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HTR6 P50406 1/20 0.35
ESRRG P62508 1/20 0.35

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
SCHEMBL196799 0.83 MEN1 (0.48) OPRD1MEN1KMT2AHSD11B1HPGD
SCHEMBL565578 0.82 CYP2C9 (0.57) OPRD1CYP2D6CYP2C9HIF1AMEN1
SCHEMBL20388630 0.82 OPRD1 (0.42) OPRD1CYP2D6CYP2C9HIF1AMEN1
Hydrogen Peroxide SCHEMBL28402319 0.80 CYP2C9 (0.61) OPRD1CYP2D6CYP2C9HIF1AMEN1
SCHEMBL31201776 0.80 PTPN5 (0.46) OPRD1CYP2D6CYP2C9HIF1AMEN1
SCHEMBL4830136 0.78 PDE2A (0.59) OPRD1CYP2D6CYP2C9HIF1AMEN1
SCHEMBL4826658 0.78 PDE2A (0.59) OPRD1CYP2D6CYP2C9HIF1AMEN1
SCHEMBL4826652 0.78 PDE2A (0.59) OPRD1CYP2D6CYP2C9HIF1AMEN1
SCHEMBL292572 0.78 TSHR (0.52) HPGDHSD17B10LMNATYRTSHR
SCHEMBL9175432 0.77 PTPN5 (0.53) OPRD1CYP2D6CYP2C9HIF1AMEN1

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