SCHEMBL31237827

SCHEMBL31237827

COc1c(CC=C(C)C)c(O)cc2c1[C@@H]1Oc3c(ccc(O)c3CC=C(C)C)[C@@H]1CO2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 8/20 0.73
▸ HSD17B1 P14061 1/20 0.72
▸ ACHE P22303 1/20 0.57
▸ TYR P14679 2/20 0.52

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
SCHEMBL32889277 0.86 PTPN1 (0.79) PTPN1HSD17B1ACHETYR
SCHEMBL30645543 0.86 HSD17B1 (0.66) PTPN1HSD17B1ACHETYR
SCHEMBL27724151 0.86 HSD17B1 (0.66) PTPN1HSD17B1ACHETYR
SCHEMBL23483682 0.84 HSD17B1 (1.00) PTPN1HSD17B1
SCHEMBL22948232 0.84 HSD17B1 (1.00) PTPN1HSD17B1
SCHEMBL30260469 0.84 HSD17B1 (1.00) PTPN1HSD17B1
Erybraedin C SCHEMBL29572548 0.81 PTPN1 (0.77) PTPN1HSD17B1ACHE
Phaseollidin SCHEMBL29349654 0.80 PTPN1 (0.77) PTPN1HSD17B1
Phaseollidin SCHEMBL1545850 0.80 PTPN1 (0.77) PTPN1HSD17B1
Erybraedin A SCHEMBL29572007 0.79 PTPN1 (0.76) PTPN1HSD17B1TYR

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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