SCHEMBL29425932

SCHEMBL29425932

OC[C@H]1O[C@@H](O[C@@H]2OCC[C@H]3C[C@@H]4O[C@]4(CO)[C@H]32)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.49
▸ SYNJ2 O15056 2/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ PTPN1 P18031 2/20 0.37
▸ GJA1 P17302 1/20 0.36
▸ GJB2 P29033 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ XDH P47989 1/20 0.35
▸ LGALS8 O00214 1/20 0.34
▸ LGALS3 P17931 1/20 0.34
▸ LGALS4 P56470 1/20 0.34
▸ STAT3 P40763 1/20 0.34
▸ CDK1 P06493 1/20 0.34
▸ CCNB1 P14635 1/20 0.34

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
Dihydrocatalpol SCHEMBL29500389 0.78 HSP90AA1 (0.64) HSP90AA1SYNJ2MEN1KMT2APTPN1
SCHEMBL15391769 0.74 HSP90AA1 (0.49) HSP90AA1SYNJ2MEN1KMT2APTPN1
SCHEMBL8602263 0.71 MEN1 (0.56) MEN1KMT2APTPN1GJA1GJB2
SCHEMBL3383042 0.70 PTPN1 (0.49) SYNJ2MEN1KMT2APTPN1GJA1
Trehalose SCHEMBL23029503 0.69 MEN1 (0.57) MEN1KMT2APTPN1GJA1GJB2
SCHEMBL20063941 0.69 MEN1 (0.57) MEN1KMT2APTPN1GJA1GJB2
Trehalose SCHEMBL12694649 0.69 MEN1 (0.57) MEN1KMT2APTPN1GJA1GJB2
SCHEMBL5081689 0.69 MEN1 (0.57) MEN1KMT2APTPN1GJA1GJB2
Trehalose SCHEMBL20111150 0.69 MEN1 (0.57) MEN1KMT2APTPN1GJA1GJB2
SCHEMBL18197649 0.69 MEN1 (0.57) MEN1KMT2APTPN1GJA1GJB2

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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