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SCHEMBL31237452

CC(C)=CCc1cc2c(cc1O)OC[C@H]1c3ccc4c(c3O[C@@H]21)C=CC(C)(C)O4

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 1.00
▸ MGAM O43451 1/20 0.67
▸ HSP90AA1 P07900 1/20 0.61
▸ HSD17B1 P14061 1/20 0.59

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
Erybreadin B SCHEMBL29571677 0.85 PTPN1 (1.00) PTPN1MGAMHSP90AA1HSD17B1
Erybreadin B SCHEMBL31237953 0.85 PTPN1 (1.00) PTPN1MGAMHSP90AA1HSD17B1
Phaseolin SCHEMBL33735 0.81 MGAM (1.00) PTPN1MGAMHSP90AA1HSD17B1
Phaseolin SCHEMBL33736 0.81 MGAM (1.00) PTPN1MGAMHSP90AA1HSD17B1
Phaseolin SCHEMBL29929606 0.81 MGAM (1.00) PTPN1MGAMHSP90AA1HSD17B1
Phaseolin SCHEMBL29351585 0.81 MGAM (1.00) PTPN1MGAMHSP90AA1HSD17B1
Phaseolin SCHEMBL28856370 0.80 MGAM (0.98) PTPN1MGAMHSP90AA1HSD17B1
Erybraedin C SCHEMBL29572548 0.80 PTPN1 (0.77) PTPN1HSP90AA1HSD17B1
Phaseolin SCHEMBL28201435 0.77 MGAM (0.90) PTPN1MGAMHSP90AA1HSD17B1
Phaseolin SCHEMBL28209786 0.76 MGAM (0.89) PTPN1MGAMHSP90AA1HSD17B1

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-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
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