SCHEMBL2742790

SCHEMBL2742790

CC(C)(C)CC(C(=O)NCCCCS(=O)(=O)O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
ALDH1A2 O94788 1/20 0.34
ALDH1A1 P00352 1/20 0.34
ALDH2 P05091 1/20 0.34
ALDH1A3 P47895 1/20 0.34
PTGS1 P23219 1/20 0.34
KCNH2 Q12809 1/20 0.34
DPP7 Q9UHL4 2/20 0.32
TLR2 O60603 1/20 0.32

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
SCHEMBL16330483 0.90 CA1 (0.30)
SCHEMBL18671015 0.82 PTGS1 (0.47) ALDH1A2ALDH1A1ALDH2ALDH1A3PTGS1
SCHEMBL14409945 0.81 EPHX1 (0.48) DPP7
SCHEMBL14544234 0.80 DPP7 (0.42) PTGS1KCNH2DPP7
SCHEMBL16330488 0.79 CA2 (0.35)
SCHEMBL16330477 0.79 PTGS1 (0.37) ALDH1A2ALDH1A1ALDH2ALDH1A3PTGS1
SCHEMBL26041010 0.79 KISS1R (0.38) ALDH1A2ALDH1A1ALDH2ALDH1A3PTGS1
SCHEMBL22296783 0.78 ADRA1A (0.50) EPHX2ALDH1A2ALDH1A1ALDH2ALDH1A3
SCHEMBL13697295 0.78 ALOX15 (0.37) ALDH1A2ALDH1A1ALDH2ALDH1A3PTGS1
SCHEMBL20326432 0.77 RRM1 (0.38) ALDH1A2ALDH1A1ALDH2ALDH1A3PTGS1

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-8088537-B2 Resist top coat composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-01-03 US disclosed
US-20090197200-A1 Resist top coat composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-08-06 US disclosed