SCHEMBL10067115

SCHEMBL10067115

O=C(OCCS(=O)(=O)O)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 4/20 0.42
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
RAD52 P43351 1/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL10067134 0.87 EPHX1 (0.38) EPHX1CYP3A4TSHRRAD52CHRM2
SCHEMBL18232617 0.77 EPHX1 (0.39) EPHX1
SCHEMBL7537185 0.76 EPHX1 (0.44) EPHX1CYP3A4TSHRRAD52CHRM2
SCHEMBL18775805 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL18775803 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL18775811 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL18775804 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL18776003 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL10067084 0.76 ALDH1A1 (0.41) ALDH1A1
SCHEMBL18775808 0.76 ALDH1A1 (0.41) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8748076-B2 Resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-06-10 US disclosed
US-8748076-B2 Resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-06-10 US disclosed
US-20120288796-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-11-15 US disclosed
US-20120196228-A1 RESIST COMPOSITION AND PATTERNING PROCESS USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-08-02 US disclosed
US-20120164577-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-28 US disclosed