SCHEMBL9610355

SCHEMBL9610355

CC(=O)C(=O)OCC(=O)OC1c2ccccc2CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.34
SLC6A4 P31645 14/20 0.34
CYP2D6 P10635 13/20 0.34
SLC6A3 Q01959 7/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MPI P34949 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL11964296 0.90 SLC6A2 (0.33) SLC6A2SLC6A4CYP2D6SLC6A3ALDH1A1
SCHEMBL19335269 0.81 SLC6A2 (0.41) SLC6A2SLC6A4CYP2D6SLC6A3ALDH1A1
SCHEMBL16974322 0.80 POLB (0.49) SLC6A2SLC6A4CYP2D6SLC6A3ALDH1A1
SCHEMBL2192132 0.78 CYP2D6 (0.35) SLC6A2SLC6A4CYP2D6SLC6A3ALDH1A1
SCHEMBL18241637 0.74 MAPT (0.38) SLC6A2SLC6A4CYP2D6SLC6A3ALDH1A1
SCHEMBL9610354 0.72 TSHR (0.37) SLC6A2SLC6A4CYP2D6SLC6A3ALDH1A1
SCHEMBL12416516 0.72 SLC6A2 (0.38) SLC6A2SLC6A4CYP2D6SLC6A3ALDH1A1
SCHEMBL12415889 0.72 CA1 (0.37) SLC6A2SLC6A4CYP2D6SLC6A3ALDH1A1
SCHEMBL9610485 0.67 MTNR1A (0.39) ALDH1A1
SCHEMBL9610362 0.67 TAS1R3 (0.42) SLC6A2SLC6A4CYP2D6ALDH1A1GAA

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
US-8735046-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-05-27 US disclosed
US-8735046-B2 Positive resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-05-27 US disclosed
US-20120135349-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-31 US disclosed
US-20120135349-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-05-31 US disclosed