SCHEMBL14546134

SCHEMBL14546134

CCC(C)(C)Oc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(C)(C)CC)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.34
▸ POLB P06746 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ PTPN5 P54829 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ PKM P14618 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 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
SCHEMBL14557891 0.93 POLB (0.32) POLBALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL12807621 0.92 RRM1 (0.34) CASP1POLBALDH1A1KDM4EL3MBTL1
SCHEMBL13918657 0.92 CASP1 (0.30) CASP1
SCHEMBL14958975 0.90 — —
SCHEMBL13918915 0.89 RRM1 (0.31) RRM1
SCHEMBL14546136 0.89 CASP1 (0.36) CASP1POLBALDH1A1KDM4EL3MBTL1
SCHEMBL13918655 0.89 RRM1 (0.31) RRM1
SCHEMBL13181479 0.88 CASP1 (0.35) CASP1POLBALDH1A1KDM4EL3MBTL1
SCHEMBL14958906 0.88 CASP1 (0.30) CASP1
SCHEMBL13918634 0.88 — —

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-20070083010-A1 aromatic polyether with sulfonic acid-functional block and acid-free blocks; polyether sulfones; polymer electrolyte fuel cells SUMITOMO CHEMICAL COMPANY, LIMITED 2007-04-12 — — US disclosed
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