SCHEMBL29425919

SCHEMBL29425919

O=C(/C=C/c1ccc(O)cc1)OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3CC=C(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 7/20 0.52
▸ ELANE P08246 1/20 0.47
▸ PTPN2 P17706 1/20 0.45
▸ PTPN11 Q06124 1/20 0.45
▸ CYP3A4 P08684 2/20 0.44
▸ CA12 O43570 1/20 0.44
▸ TYR P14679 1/20 0.44
▸ CA4 P22748 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.42

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
SCHEMBL29425865 0.97 PTPN1 (0.49) PTPN1ELANEPTPN2PTPN11CYP3A4
SCHEMBL29426143 0.92 PRKCA (0.52) PTPN1ELANEHSP90AA1
6'-O-P-Coumaroylgenipin Gentiobioside SCHEMBL29689589 0.89 ELANE (0.53) PTPN1ELANE
Tarenninoside E SCHEMBL29426088 0.86 PTPN1 (0.46) PTPN1ELANEPTPN2PTPN11CYP3A4
Tarenninoside D SCHEMBL29426111 0.81 PRKCA (0.46) PTPN1ELANECA12CA4CA7
Geniposidic Acid SCHEMBL227010 0.81 PTPN1 (0.70) PTPN1PTPN2PTPN11
SCHEMBL29426041 0.79 HSP90AA1 (0.46) ELANECYP3A4CA12TYRCA4
SCHEMBL29425910 0.77 PRKCA (0.49) ELANECYP3A4CA12TYRCA4
SCHEMBL31179879 0.75 HSP90AA1 (0.55) ELANECYP3A4CA12CA4CA7
SCHEMBL31179884 0.75 HSP90AA1 (0.55) ELANECYP3A4CA12CA4CA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4702037-A1 METHOD OF PRODUCING IRIDOIDS Nicoventures Trading Limited (GB) 2026-03-04 — — EP disclosed
WO-2024224085-A1 METHOD OF PRODUCING IRIDOIDS Nicoventures Trading Limited (GB) 2024-10-31 — — WO disclosed
EP-3409766-B1 AN ESTERASE THAT IS CAPABLE OF CONVERTING IRIDOIDS AND SECO-IRIDOIDS N ZYME BIOTEC GMBH (DE) 2022-03-09 — — EP disclosed
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