SCHEMBL24977923

SCHEMBL24977923

CC(C)(C)Oc1ccc(-c2ccc(Oc3ccc(S(=O)(=O)c4ccc(C(C)(C)C)cc4)cc3)c(S(=O)(=O)O)c2)cc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.38
▸ 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 3/20 0.36
▸ HSD17B3 P37058 1/20 0.36
▸ APEX1 P27695 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

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
SCHEMBL12755306 0.88 ALDH1A1 (0.38) PTPN1ALDH1A1HPGDNPSR1NR1I2
SCHEMBL13353930 0.88 ALDH1A1 (0.38) PTPN1ALDH1A1HPGDNPSR1NR1I2
SCHEMBL25759632 0.84 ALDH1A1 (0.39) ALDH1A1HPGDNPSR1APEX1POLB
SCHEMBL18732386 0.84 NR1I2 (0.36) PTPN1ALDH1A1HPGDNPSR1NR1I2
SCHEMBL10139739 0.83 PTPN1 (0.31) PTPN1
SCHEMBL26295068 0.81 HSD17B2 (0.41) PTPN1ALDH1A1HPGDNPSR1NR1I2
SCHEMBL14557909 0.81 FGFR2 (0.38) ALDH1A1HPGDNPSR1NR1I2APEX1
SCHEMBL13244479 0.80 POLB (0.33) HSD11B1POLB
SCHEMBL24978206 0.80 ALDH1A1 (0.32) PTPN1ALDH1A1HPGDNPSR1
SCHEMBL20375312 0.79 POLB (0.35) PTPN1ALDH1A1APEX1ELANEPOLB

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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