SCHEMBL10053102

SCHEMBL10053102

C=Cc1ccc(C(=O)OC2CN(CC)C(=O)N(COC)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
SCN1A P35498 2/20 0.33
SCN2A Q99250 2/20 0.33
SCN3A Q9NY46 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 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
SCHEMBL471779 0.95 SMN1; SMN2 (0.38) TAS1R3TAS1R1SMN1; SMN2SCN1ASCN2A
SCHEMBL10053096 0.90 KDM2B (0.32) MEN1KMT2A
SCHEMBL472300 0.85 CYP2D6 (0.33) SMN1; SMN2MEN1KMT2A
SCHEMBL10021856 0.84 CYP2D6 (0.32) SMN1; SMN2MEN1KMT2A
SCHEMBL10021861 0.83 ALDH1A1 (0.32) SMN1; SMN2MEN1KMT2A
SCHEMBL10021857 0.83 ALDH1A1 (0.32) SMN1; SMN2MEN1KMT2A
SCHEMBL10021858 0.82 ALDH1A1 (0.38) L3MBTL1MEN1KMT2A
SCHEMBL10053742 0.82 SMN1; SMN2 (0.40) TAS1R3TAS1R1SMN1; SMN2SCN1ASCN2A
SCHEMBL10053106 0.81 SMN1; SMN2 (0.34) SMN1; SMN2SCN1ASCN2ASCN3A
SCHEMBL17936646 0.78 SERPINE1 (0.38) SMN1; SMN2SCN1ASCN2ASCN3AMEN1

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-8470512-B2 Polymer, chemically amplified negative resist composition, and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-06-25 US disclosed
US-20120028190-A1 POLYMER, CHEMICALLY AMPLIFIED NEGATIVE RESIST COMPOSITION, AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-02-02 US disclosed