SCHEMBL5697225

SCHEMBL5697225

CC(C)c1ccc(C=O)c(O)c1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.46
ERN1 O75460 5/20 0.39
LMNA P02545 4/20 0.39
HPGD P15428 3/20 0.39
BLM P54132 3/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
SLC6A2 P23975 2/20 0.39
HTR2B P41595 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
HIF1A Q16665 2/20 0.39
FAAH O00519 1/20 0.39
GABRA1 P14867 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2C P28335 1/20 0.39
GABRB3 P28472 1/20 0.39

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
SCHEMBL3431399 0.85 TYR (0.46) TYRERN1LMNAHPGDBLM
SCHEMBL16096543 0.82 TYR (0.52) TYRERN1ALBTLR2TLR1
SCHEMBL10910659 0.82 TYR (0.41) TYRLMNABLMTSHRALB
SCHEMBL311765 0.81 TYR (0.46) TYRERN1LMNAHPGDBLM
SCHEMBL311545 0.79 TYR (0.44) TYRERN1ALBTLR2TLR1
SCHEMBL10625737 0.78 TYR (0.39) TYRLMNABLMSLC6A2HTR2B
SCHEMBL10611980 0.77 GABRA1 (0.56) LMNAHPGDBLMCA1CA2
SCHEMBL26229530 0.75 TYR (0.41) TYRERN1LMNAHPGDBLM
SCHEMBL310825 0.74 GABRA1 (0.61) TYRERN1LMNAHPGDBLM
SCHEMBL28154797 0.74 TYR (0.48) TYRERN1LMNABLMTSHR

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-1334107-B1 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2006-07-26 EP disclosed
EP-1334107-A2 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS Basell Polyolefine GmbH (DE) 2003-08-13 EP disclosed
WO-2002032908-A2 NON-METALLOCENE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF AND USE OF THE SAME FOR THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2002-04-25 WO disclosed