SCHEMBL1398381

SCHEMBL1398381

COCCC(CN)C(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CPB2 Q96IY4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
GABRR1 P24046 2/20 0.31
TSHR P16473 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30
MME P08473 1/20 0.30
SLC1A1 P43005 1/20 0.30
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL5701687 0.84 CA1 (0.40) CA1CA2KMT2ASMN1; SMN2CPB2
SCHEMBL1627445 0.82
SCHEMBL5393212 0.81 CPB2 (0.41) CA2CPB2ALDH1A1GABRR1MME
SCHEMBL5701456 0.81 CA1 (0.44) CA1CA2KMT2ASMN1; SMN2CPB2
Hydrochloric Acid SCHEMBL661205 0.80 CA1 (0.45) CA1CA2KMT2ASMN1; SMN2ALDH1A1
SCHEMBL27775199 0.78 CA2 (0.71) CA1CA2CPB2ALDH1A1ZDHHC7
SCHEMBL27869323 0.78 CPB2 (0.50) CA1CA2CPB2ZDHHC7
Hydrochloric Acid SCHEMBL11425380 0.76 CA2 (0.69) CA1CA2CPB2ALDH1A1ZDHHC7
SCHEMBL28486992 0.76 CA2 (0.69) CA1CA2ALDH1A1ZDHHC7TSHR
SCHEMBL5383903 0.76 ALDH1A1 (0.37) CA1CA2SMN1; SMN2CPB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081085-B1 Positive resist compositions and patterning process SHINETSU CHEMICAL CO (JP) 2011-03-02 EP disclosed
EP-1693707-A1 Positive resist composition, and patterning process using the same Shinetsu Chemical Co., Ltd. (JP) 2006-08-23 EP disclosed
US-20050079446-A1 Novel polymerizable compound, polymer, positive-resist composition, and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-04-14 US disclosed
US-20050079440-A1 Novel polymer, positive resist composition, and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2005-04-14 US disclosed