SCHEMBL13353930

SCHEMBL13353930

CC(C)(C)c1ccc(S(=O)(=O)c2ccc(Oc3ccc(-c4ccc(C(C)(C)C)c(S(=O)(=O)O)c4)cc3S(=O)(=O)O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ NR1I2 O75469 9/20 0.37
▸ HSD11B1 P28845 2/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ ELANE P08246 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B2 P37059 1/20 0.34
▸ XDH P47989 1/20 0.34

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
SCHEMBL24977923 0.88 PTPN1 (0.38) ALDH1A1HPGDNPSR1NR1I2HSD11B1
SCHEMBL20375312 0.84 POLB (0.35) ALDH1A1PTPN1ELANEPOLBSMN1; SMN2
SCHEMBL20661481 0.83 KDM4E (0.35) ALDH1A1HPGDNPSR1NR1I2HSD11B1
SCHEMBL10139739 0.83 PTPN1 (0.31) PTPN1
SCHEMBL26295068 0.81 HSD17B2 (0.41) ALDH1A1HPGDNPSR1NR1I2HSD11B1
SCHEMBL21715645 0.81 MMP14 (0.38) MMP9MMP13POLBSMN1; SMN2RXFP1
SCHEMBL13244479 0.80 POLB (0.33) HSD11B1POLBTSHR
SCHEMBL26572680 0.79 HSD17B2 (0.42) ALDH1A1NR1I2PTPN1HSD17B2
SCHEMBL14557909 0.79 FGFR2 (0.38) ALDH1A1HPGDNPSR1NR1I2MMP9
SCHEMBL21715648 0.78 POLB (0.34) POLBTSHR

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-20100129729-A1 CEOSSLINKED AROMATIC POLYMER, POLYMER ELECTROLYTE,CATALYST INK, POLYMER ELECTROLYTE MEMBRANE, MEMBRANE-ELECTRODE ASSEMBLY AND FUEL CELL SUMITOMO CHEMICAL COMPANY ,LIMITED 2010-05-27 — — US disclosed
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