SCHEMBL6418653

SCHEMBL6418653

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
CYP3A4 P08684 4/20 0.46
GABRA1 P14867 3/20 0.46
CYP1A2 P05177 3/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRB2 P47870 2/20 0.46
SLC6A2 P23975 2/20 0.46
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
GABRB1 P18505 1/20 0.46
PTGS1 P23219 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL13263921 0.87 TRPA1 (0.46) TSHRCYP3A4GABRA1CYP1A2GABRG2
SCHEMBL30271545 0.87 TRPA1 (0.46) TSHRCYP3A4GABRA1CYP1A2GABRG2
SCHEMBL2011051 0.87 TRPA1 (0.46) TSHRCYP3A4GABRA1CYP1A2GABRG2
SCHEMBL30143789 0.84 CYP3A4 (0.38) TSHRCYP3A4GABRA1CYP1A2GABRG2
SCHEMBL12820159 0.84 CYP3A4 (0.38) TSHRCYP3A4GABRA1CYP1A2GABRG2
SCHEMBL20488788 0.84 CYP3A4 (0.38) TSHRCYP3A4GABRA1CYP1A2GABRG2
SCHEMBL13713416 0.80 LMNA (0.42) TSHRCYP3A4CYP1A2CA1CA2
SCHEMBL5101318 0.79 GABRA1 (0.50) TSHRCYP3A4GABRA1CYP1A2GABRG2
SCHEMBL382010 0.79 GABRA1 (0.50) TSHRCYP3A4GABRA1CYP1A2GABRG2
SCHEMBL5101317 0.79 GABRA1 (0.50) TSHRCYP3A4GABRA1CYP1A2GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6905803-B2 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2005-06-14 US disclosed
US-20040023146-A1 Lithographic printing plate precursor FUJI PHOTO FILM CO., LTD. (JP) 2004-02-05 US disclosed