SCHEMBL7559615

SCHEMBL7559615

CC(C)(C)c1cccc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(C(C)(C)C)c2C(C)(C)C)c1C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN5 P54829 1/20 0.37
CA2 P00918 1/20 0.35
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KIF11 P52732 1/20 0.34
TRPA1 O75762 1/20 0.34
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
HSD11B1 P28845 1/20 0.30
PDE4A P27815 1/20 0.30
PDE4B Q07343 1/20 0.30
PDE4C Q08493 1/20 0.30
PDE4D Q08499 1/20 0.30

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
SCHEMBL27480276 0.83 CA2 (0.41) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL1194487 0.83 CA2 (0.41) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL545685 0.82 CA2 (0.40) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL27587488 0.82 CA2 (0.40) PTPN5CA2ALDH1A1TSHRTDP1
Phosphine SCHEMBL2238719 0.82 CA2 (0.40) PTPN5CA2ALDH1A1TSHRTDP1
Iodide SCHEMBL29162131 0.82 CA2 (0.40) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL499865 0.81 CA2 (0.43) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL27759190 0.80 CA2 (0.39) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL28648018 0.79 PTPN5 (0.37) PTPN5CA2ALDH1A1TSHRTDP1
SCHEMBL3246305 0.78 PTPN5 (0.36) PTPN5CA2ALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002071045-A2 METHOD FOR DETERMINATION OF STRUCTURAL DEFECTS OF COATINGS GENERAL ELECTRIC COMPANY (US) 2002-09-12 WO claimed