SCHEMBL24978206

SCHEMBL24978206

CC(C)(C)Oc1ccc(-c2ccc(Oc3ccc(Sc4ccc(C(C)(C)C)cc4)cc3)c(SO)c2)cc1S(=O)(=O)O

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ XDH P47989 1/20 0.31
▸ FGFR2 P21802 1/20 0.31
▸ SLC6A9 P48067 1/20 0.30
▸ PTPN2 P17706 1/20 0.30
▸ PTPN1 P18031 1/20 0.30

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 0.80 PTPN1 (0.38) ALDH1A1HPGDNPSR1PTPN1
SCHEMBL25759632 0.76 ALDH1A1 (0.39) ALDH1A1HPGDNPSR1XDHFGFR2
SCHEMBL12755306 0.71 ALDH1A1 (0.38) ALDH1A1HPGDNPSR1PTPN1
SCHEMBL26546694 0.71 FGFR2 (0.44) ALDH1A1HPGDNPSR1FGFR2
SCHEMBL13353930 0.69 ALDH1A1 (0.38) ALDH1A1HPGDNPSR1XDHPTPN1
SCHEMBL19619717 0.69 ALDH1A1 (0.34) ALDH1A1HPGDNPSR1FGFR2
SCHEMBL20007552 0.69 RAB9A (0.47) ALDH1A1HPGDXDHFGFR2PTPN2
SCHEMBL18807892 0.69 RAB9A (0.47) ALDH1A1HPGDXDHFGFR2PTPN2
SCHEMBL18807777 0.69 RAB9A (0.47) ALDH1A1HPGDXDHFGFR2PTPN2
SCHEMBL20375350 0.69 FGFR2 (0.47) ALDH1A1HPGDNPSR1FGFR2

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-2023001793-A1 IMPROVED DURABILITY OF DIAPHRAGM FOR HIGHER TEMPERATURE ELECTROLYSIS GREEN HYDROGEN SYSTEMS (DK) 2023-01-26 — — WO disclosed
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