SCHEMBL6551244

SCHEMBL6551244

CC(C)(C)c1cccc(-c2c(Cl)ccc3[nH]nnc23)c1O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
GABRA1 P14867 1/20 0.36
GABRB2 P47870 1/20 0.36
PTPN5 P54829 1/20 0.35
ALOX12 P18054 1/20 0.35
ATM Q13315 1/20 0.33
TRPA1 O75762 1/20 0.33
IDO1 P14902 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL28106755 0.87 TRPA1 (0.41) TRPA1
SCHEMBL6067864 0.86 TRPA1 (0.33) TRPA1
SCHEMBL27730173 0.84 MGAM (0.35) GABRA1GABRB2TRPA1IDO1GRIN2D
SCHEMBL5698574 0.84
SCHEMBL28776480 0.84 TP53 (0.31)
SCHEMBL29429258 0.82 SMN1; SMN2 (0.41) CA2
SCHEMBL2356488 0.82 HSP90AA1 (0.41)
SCHEMBL29470088 0.82 HSP90AA1 (0.41)
SCHEMBL170449 0.82 SMN1; SMN2 (0.41) CA2
SCHEMBL29733675 0.82 HSP90AA1 (0.41)

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
EP-0811669-B1 USE OF A FLUORSILICATE AS STAIN-PROOFING AGENT DAIKIN IND LTD (JP) 2004-02-04 EP disclosed
EP-0852251-B1 STAIN-PROOFING AGENT FOR PREVENTING ADHERENCE OF STAIN AND COMPOSITION FOR PAINTS DAIKIN IND LTD (JP) 2003-05-28 EP disclosed