SCHEMBL23907137

SCHEMBL23907137

CCOCOc1ccc([S+]([O-])c2ccc(OCOCC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.44
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
LTA4H P09960 2/20 0.35
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PTPN1 P18031 1/20 0.33
KDM4E B2RXH2 3/20 0.32
PARP10 Q53GL7 1/20 0.32
RELA Q04206 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
TP53 P04637 1/20 0.32
ADRA2A P08913 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
SCHEMBL23907139 0.91 LTA4H (0.49) NQO1LTA4HPTGS2
SCHEMBL2786031 0.85 NQO1 (0.64) NQO1TSHRTDP1CA12CA1
SCHEMBL7694436 0.85 THRA (0.44) NQO1TSHRTDP1ALDH1A1SMN1; SMN2
SCHEMBL8751807 0.82 NQO1 (0.63) NQO1TSHRTDP1CA12CA1
SCHEMBL16200799 0.78 LTA4H (0.57) NQO1TSHRTDP1CA12CA1
SCHEMBL2785953 0.78 CA12 (0.52) NQO1TSHRCA12CA1CA2
SCHEMBL2787890 0.78 LTA4H (0.52) TSHRCA12CA1CA2CA7
SCHEMBL13052213 0.77 LTA4H (0.46) NQO1TSHRTDP1LTA4HALDH1A1
SCHEMBL23906784 0.76 LTA4H (0.58) NQO1TSHRTDP1CA12CA1
SCHEMBL19256954 0.76 NQO1 (0.55) NQO1TSHRTDP1LTA4HALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11675267-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-06-13 US disclosed
US-11675267-B2 Resist composition and method for producing resist pattern SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-06-13 US disclosed
US-20210311392-A1 RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2021-10-07 US disclosed