SCHEMBL5189462

SCHEMBL5189462

C=Cc1c(C)cccc1C(O)C=C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
CYP1A2 P05177 3/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
CYP3A4 P08684 2/20 0.34
FAAH O00519 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
GABRB1 P18505 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
HTR2B P41595 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34

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
SCHEMBL16957500 0.82 ESR1 (0.33) TSHRCYP1A2GABRA1GABRG2GABRB3
SCHEMBL9875235 0.82 ESR1 (0.45) TSHRCYP1A2GABRA1CYP3A4SLC6A2
SCHEMBL2542973 0.81 ALDH1A1 (0.48) TSHRCYP1A2GABRA1GABRG2GABRB3
SCHEMBL16960128 0.80 ESR1 (0.34) TSHRCYP1A2GABRA1GABRG2GABRB3
SCHEMBL12710498 0.79 ADRB1 (0.33) ALDH1A1ESR1TP53TDP1GAA
SCHEMBL16960137 0.77 GABRA1 (0.36) TSHRCYP1A2GABRA1GABRG2GABRB3
SCHEMBL672658 0.76 CYP2A6 (0.43) TSHRCYP1A2CA1CA2ALDH1A1
SCHEMBL24804430 0.75 ALDH1A1 (0.39) TSHRCYP1A2GABRA1CA1CA2
SCHEMBL7594286 0.74 ALDH1A1 (0.39) TSHRGABRA1GABRB2ALDH1A1ATM
SCHEMBL16959773 0.73 MAPK1 (0.30) MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1791945-A1 STABLE LIQUID FORMULATIONS OF PLASMID DNA CENTELION (FR) 2007-06-06 EP disclosed
EP-1737945-A1 METHOD FOR PURIFYING PLASMID DNA CENTELION (FR) 2007-01-03 EP disclosed
WO-2006029908-A1 STABLE LIQUID FORMULATIONS OF PLASMID DNA CENTELION (FR) 2006-03-23 WO disclosed
WO-2005100542-A1 METHOD FOR PURIFYING PLASMID DNA CENTELION (FR) 2005-10-27 WO disclosed