SCHEMBL9057878

SCHEMBL9057878

C[C@]1(O)[C@H](Cl)[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ POLB P06746 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SYNJ2 O15056 2/20 0.38
▸ HSP90AA1 P07900 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ TYR P14679 1/20 0.36
▸ STAT3 P40763 4/20 0.36

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
SCHEMBL422972 0.91 ALDH1A1 (0.53) ALDH1A1TSHRKDM4EGLACYP3A4
Antirrhinoside SCHEMBL27233579 0.83 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EGLACYP3A4
Antirrhinoside SCHEMBL1424987 0.83 ALDH1A1 (0.51) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL29425840 0.80 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EGLACYP3A4
Harpagide SCHEMBL1425414 0.80 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EGLACYP3A4
Harpagide SCHEMBL30132931 0.80 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EGLACYP3A4
Harpagide SCHEMBL29385820 0.80 ALDH1A1 (0.61) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL29727271 0.74 ALDH1A1 (0.71) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL29425887 0.74 ALDH1A1 (0.71) ALDH1A1TSHRKDM4EGLACYP3A4
SCHEMBL30854808 0.72 L3MBTL1 (0.56) ALDH1A1TSHRKDM4EGLACYP3A4

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-4379068-A1 IRIDOID OR SECO-IRIDOID DERIVATIVES AND THEIR USE IN A TANNING PROCESS Institut National Des Sciences Appliquées De Rouen (FR) 2024-06-05 — — EP claimed
EP-4379068-A1 IRIDOID OR SECO-IRIDOID DERIVATIVES AND THEIR USE IN A TANNING PROCESS Institut National Des Sciences Appliquées De Rouen (FR) 2024-06-05 — — EP disclosed
WO-1996010408-A1 CARDIOACTIVE COMPOUNDS ISOLATED FROM WOODY PERENNIALS THE EXECUTIVE DIRECTOR OF THE WESTERN AUSTRALIAN DEPARTMENT OF CONSERVATION AND LAND MANAGEMENT (AU) 1996-04-11 — — WO disclosed
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