Digoxigenin

Digoxigenin

SCHEMBL8816469

C[C@]12CCC(O)CC1CC[C@@H]1[C@@H]2CC(O)[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 6/20 1.00
▸ PAX8 Q06710 4/20 1.00
▸ LMNA P02545 4/20 1.00
▸ SMN1; SMN2 Q16637 4/20 1.00
▸ RAB9A P51151 4/20 1.00
▸ HIF1A Q16665 3/20 1.00
▸ NPC1 O15118 3/20 1.00
▸ CYP2C19 P33261 2/20 1.00
▸ HSD17B10 Q99714 1/20 1.00
▸ SLCO4C1 Q6ZQN7 1/20 1.00
▸ ATP1A1 P05023 9/20 0.74
▸ ATP1B1 P05026 9/20 0.74
▸ ATP1B2 P14415 9/20 0.74
▸ ATP1A2 P50993 9/20 0.74
▸ ATP1B3 P54709 9/20 0.74
▸ TSHR P16473 2/20 0.74
▸ ATP1A3 P13637 2/20 0.74
▸ FXYD2 P54710 2/20 0.74
▸ ATP1A4 Q13733 2/20 0.74
▸ CYP3A4 P08684 1/20 0.74

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
Digoxigenin SCHEMBL13337910 1.00 TP53 (1.00) TP53PAX8LMNASMN1; SMN2RAB9A
Digoxigenin SCHEMBL4994463 1.00 TP53 (1.00) TP53PAX8LMNASMN1; SMN2RAB9A
Digoxigenin SCHEMBL21105 1.00 TP53 (1.00) TP53PAX8LMNASMN1; SMN2RAB9A
Digoxigenin SCHEMBL24012132 1.00 TP53 (1.00) TP53PAX8LMNASMN1; SMN2RAB9A
Digoxigenin SCHEMBL13362000 1.00 TP53 (1.00) TP53PAX8LMNASMN1; SMN2RAB9A
Digoxigenin SCHEMBL23827178 1.00 TP53 (1.00) TP53PAX8LMNASMN1; SMN2RAB9A
Digoxigenin SCHEMBL12841138 1.00 TP53 (1.00) TP53PAX8LMNASMN1; SMN2RAB9A
Digoxigenin SCHEMBL11077489 1.00 TP53 (1.00) TP53PAX8LMNASMN1; SMN2RAB9A
Digoxigenin SCHEMBL8816474 1.00 TP53 (1.00) TP53PAX8LMNASMN1; SMN2RAB9A
Digoxigenin SCHEMBL29477343 1.00 TP53 (1.00) TP53PAX8LMNASMN1; SMN2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0647133-A4 COMPOSITIONS AND METHODS FOR ENHANCED DRUG DELIVERY. AFFYMAX TECH NV (AN) 1997-10-29 — — EP disclosed
US-5607691-A IONTOPHORESIS AFFYMAX TECHNOLOGIES N.V. (GB) 1997-03-04 — — US disclosed
EP-0647133-A1 COMPOSITIONS AND METHODS FOR ENHANCED DRUG DELIVERY AFFYMAX TECHNOLOGIES N.V. (AN) 1995-04-12 — — EP disclosed
WO-1993025197-A1 COMPOSITIONS AND METHODS FOR ENHANCED DRUG DELIVERY AFFYMAX TECHNOLOGIES N.V. (AN) 1993-12-23 — — WO disclosed
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