SCHEMBL2742787

SCHEMBL2742787

CC(C)(C)CC(CCS(=O)(=O)O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
PTGS1 P23219 1/20 0.31
PDE4A P27815 1/20 0.31
LMNA P02545 1/20 0.31
SLC6A6 P31641 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL2742786 0.88 APP (0.35)
SCHEMBL22551551 0.81 LMNA (0.42) S1PR2S1PR1S1PR3PTGS1PDE4A
SCHEMBL2742785 0.78 SLC22A6 (0.33)
SCHEMBL22551597 0.70 LMNA (0.39) S1PR2S1PR1S1PR3PTGS1PDE4A
SCHEMBL14030522 0.69 S1PR2 (0.31) S1PR2S1PR1S1PR3
SCHEMBL4620842 0.68 ENPEP (0.33) S1PR2S1PR1S1PR3LMNASLC6A6
SCHEMBL14536141 0.68 GABRP (0.41) CYP2C19BLM
SCHEMBL18722218 0.68 TSHR (0.31)
SCHEMBL16330482 0.66
SCHEMBL10052075 0.66

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