SCHEMBL26295068

SCHEMBL26295068

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B2 P37059 4/20 0.41
▸ HSD11B1 P28845 1/20 0.39
▸ HSD17B3 P37058 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PTPN2 P17706 1/20 0.38
▸ PTPN1 P18031 1/20 0.38
▸ CA1 P00915 2/20 0.37
▸ CA2 P00918 2/20 0.37
▸ CA9 Q16790 2/20 0.37
▸ XDH P47989 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ MMP9 P14780 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ PTPN5 P54829 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ NR1I2 O75469 3/20 0.35

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
SCHEMBL26945108 0.92 HSD17B2 (0.38) HSD17B2HSD11B1HSD17B3ALDH1A1HPGD
SCHEMBL21155176 0.87 POLB (0.41) ALDH1A1CA1CA2CA9APEX1
SCHEMBL17706660 0.85 POLB (0.41) HSD11B1HSD17B3ALDH1A1CA2APEX1
SCHEMBL24977923 0.81 PTPN1 (0.38) HSD11B1HSD17B3ALDH1A1HPGDNPSR1
SCHEMBL13353930 0.81 ALDH1A1 (0.38) HSD17B2HSD11B1ALDH1A1HPGDNPSR1
SCHEMBL12755306 0.81 ALDH1A1 (0.38) HSD11B1HSD17B3ALDH1A1HPGDNPSR1
SCHEMBL12190621 0.81 PKM (0.50) HSD11B1ALDH1A1MMP9MMP13POLB
SCHEMBL12780726 0.80 PKM (0.45) ALDH1A1PTPN1APEX1MMP9MMP13
SCHEMBL19391856 0.80 HTT (0.39) APEX1MMP9POLBSMN1; SMN2RXFP1
SCHEMBL12780764 0.79 PKM (0.51) HSD11B1ALDH1A1MMP9MMP13POLB

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
WO-2023161355-A1 PROCESS FOR THE PREPARATION OF A SULFONATED POLYARYLENESULFONE POLYMER (SP) BASF SE (DE) 2023-08-31 — — WO disclosed
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