SCHEMBL10067134

SCHEMBL10067134

O=C(OCCCCCS(=O)(=O)O)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.38
RAD52 P43351 1/20 0.36
TSHR P16473 2/20 0.35
EPHX2 P34913 1/20 0.32
CYP3A4 P08684 2/20 0.31
NAAA Q02083 1/20 0.31
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 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
SCHEMBL10067115 0.87 EPHX1 (0.42) EPHX1RAD52TSHRCYP3A4CHRM2
SCHEMBL10172844 0.78 ALDH1A1 (0.39) EPHX1EPHX2LMNAALDH1A1
SCHEMBL10172846 0.76 ALDH1A1 (0.36) EPHX1EPHX2LMNAALDH1A1
SCHEMBL10172811 0.72 ALDH1A1 (0.40) LMNAALDH1A1
SCHEMBL17083533 0.72 EPHX1 (0.61) EPHX1EPHX2CYP3A4NAAAALDH1A1
SCHEMBL7537185 0.71 EPHX1 (0.44) EPHX1RAD52TSHRCYP3A4CHRM2
SCHEMBL10067080 0.71 TP53 (0.38) CYP3A4CHRM2CHRM1
SCHEMBL10172801 0.70 ALDH1A1 (0.37) TSHREPHX2LMNAALDH1A1
SCHEMBL27880906 0.70 EPHX1 (0.34) EPHX1RAD52
SCHEMBL754172 0.69 APP (0.46) TSHREPHX2LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120164577-A1 POSITIVE RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-06-28 US disclosed