SCHEMBL12550776

SCHEMBL12550776

CC(=O)CC(=O)OCCN1CCS(=O)(=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SLC18A3 Q16572 1/20 0.35
HPGD P15428 2/20 0.34
ALDH1A1 P00352 4/20 0.34
TLR7 Q9NYK1 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
PAOX Q6QHF9 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
DRD3 P35462 1/20 0.33
SLC29A1 Q99808 1/20 0.33
PKM P14618 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
SCHEMBL22882677 0.86 MGAM (0.43) HRH3MGAMGAASIMGAM2
SCHEMBL12550635 0.83 GAA (0.41) HRH3GAASLC18A3HPGDALDH1A1
SCHEMBL5902428 0.83 SIGMAR1 (0.46) ALDH1A1SIGMAR1CYP1A2CYP2D6TSHR
SCHEMBL12550629 0.83 SLC18A3 (0.48) HRH3GAASLC18A3HPGDALDH1A1
SCHEMBL7283280 0.81 KMT2A (0.46) HPGDSIGMAR1CYP1A2CYP2D6TSHR
SCHEMBL12550778 0.81 SLC29A1 (0.35) HRH3HPGDALDH1A1SIGMAR1CYP1A2
SCHEMBL12550647 0.81 ALDH1A1 (0.38) HRH3HPGDALDH1A1TLR7
SCHEMBL23867027 0.80 HPGD (0.39) HRH3HPGDALDH1A1SIGMAR1CYP1A2
SCHEMBL12550784 0.80 SLC29A1 (0.37) HRH3SLC18A3HPGDALDH1A1SLC29A1
SCHEMBL26784952 0.80 CYP2C19 (0.39) HRH3HPGDALDH1A1SIGMAR1CYP1A2

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-8828641-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-8828641-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-09-09 US disclosed
US-20110129777-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-06-02 US disclosed
US-20110129777-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2011-06-02 US disclosed