SCHEMBL20100415

SCHEMBL20100415

CCC(C)(C)C(=O)OC(C)C(=O)NC(=O)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
MMP8 P22894 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL16684192 0.75 CA1 (0.36) ALDH1A1MMP8SMN1; SMN2
SCHEMBL15113778 0.74 HMGCR (0.31) MMP8
SCHEMBL20100304 0.73 TSHR (0.35) ALDH1A1
SCHEMBL132911 0.72 TSHR (0.40) MMP8SMN1; SMN2
SCHEMBL6899684 0.72 MMP8 (0.39) ALDH1A1MMP8KDM4E
SCHEMBL20100290 0.71 ALDH1A1 (0.38) ALDH1A1KDM4EHTTSMN1; SMN2
SCHEMBL28826592 0.71 CNR2 (0.33)
SCHEMBL683165 0.70 CA1 (0.32) MMP8
SCHEMBL20100338 0.70 S1PR1 (0.30)
SCHEMBL14997672 0.69 RIPK1 (0.41) ALDH1A1HTTSMN1; SMN2

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-10042259-B2 Topcoat compositions and pattern-forming methods ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2018-08-07 US disclosed
US-20180118970-A1 TOPCOAT COMPOSITIONS AND PATTERN-FORMING METHODS ROHM AND HAAS ELECTRONIC MATERIALS LLC 2018-05-03 US disclosed