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SCHEMBL19359711

SCHEMBL19359711

CCC(C)(C)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(OC(C)(C)C)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD11B1 P28845 1/20 0.31
▸ RRM1 P23921 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
SCHEMBL13605241 0.90 LMNA (0.35) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL17814755 0.85 HSD11B1 (0.30) HSD11B1
SCHEMBL14546136 0.85 CASP1 (0.36) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL12807621 0.84 RRM1 (0.34) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL13573469 0.82 LMNA (0.39) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL13918913 0.81 RRM1 (0.33) RRM1
SCHEMBL13918744 0.80 RRM1 (0.32) RRM1
SCHEMBL13181479 0.80 CASP1 (0.35) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL13181442 0.80 ELANE (0.39) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2
SCHEMBL12807721 0.80 SMN1; SMN2 (0.36) MEN1ALDH1A1MAPK1KMT2ASMN1; SMN2

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-9764276-B2 Resin composition and carbon dioxide gas separation membrane SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-09-19 — — US disclosed
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