SCHEMBL29501285

SCHEMBL29501285

CC(C)[C@@H]1CC[C@H]2[C@@]1(C)CC[C@@]1(C)[C@@H]3CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3CC[C@]21C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.58
▸ ATP1A1 P05023 2/20 0.36
▸ ATP1B1 P05026 2/20 0.36
▸ ATP1A3 P13637 2/20 0.36
▸ ATP1B2 P14415 2/20 0.36
▸ ATP1A2 P50993 2/20 0.36
▸ ATP1B3 P54709 2/20 0.36
▸ FXYD2 P54710 2/20 0.36
▸ ATP1A4 Q13733 2/20 0.36
▸ UGT2B7 P16662 4/20 0.36
▸ SLC10A1 Q14973 1/20 0.33
▸ GPBAR1 Q8TDU6 3/20 0.33
▸ PRKCD Q05655 1/20 0.33
▸ CDC25A P30304 4/20 0.33
▸ CDC25B P30305 4/20 0.33
▸ P2RY12 Q9H244 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ TSHR P16473 1/20 0.30

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
SCHEMBL29460439 1.00 PTPN1 (0.58) PTPN1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL12999169 0.74 PTPN1 (0.53) PTPN1ATP1A1ATP1B1ATP1A3ATP1B2
SCHEMBL160601 0.73 PTPN1 (1.00) PTPN1SLC10A1GPBAR1PRKCDALDH1A1
SCHEMBL8068676 0.73 PTPN1 (1.00) PTPN1SLC10A1GPBAR1PRKCDALDH1A1
SCHEMBL29501291 0.72 PTPN1 (0.68) PTPN1ALDH1A1CYP3A4CYP2C9TSHR
SCHEMBL332666 0.72 CDC25A (0.51) PTPN1CDC25ACDC25B
SCHEMBL29410405 0.72 CDC25A (0.51) PTPN1CDC25ACDC25B
SCHEMBL29398347 0.72 CDC25A (0.51) PTPN1CDC25ACDC25B
SCHEMBL29372563 0.72 PTPN1 (0.67) PTPN1SLC10A1GPBAR1PRKCD
SCHEMBL29527487 0.72 CDC25A (0.51) PTPN1CDC25ACDC25B

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-3989943-B1 COMPOSITION COMPRISING AT LEAST ONE TRITERPENE AND/OR AT LEAST ONE TRITERPENOID AND/OR AT LEAST ONE OF THE GLYCOSYLATED FORMS THEREOF TILMAN (BE) 2026-05-20 — — EP disclosed
US-20220362158-A1 COMPOSITION COMPRISING AT LEAST ONE TRITERPENE AND/OR AT LEAST ONE TRITERPENOID AND/OR AT LEAST ONE OF THE GLYCOSYLATED FORMS THEREOF ELEONOR (BE) 2022-11-17 — — US disclosed
CN-114716501-A Method for extracting saponin rubiaroside G28-acetate from giant salamander mucus 四川美瑞智能科技有限公司 2022-07-08 — — CN disclosed
EP-3989943-A1 COMPOSITION COMPRISING AT LEAST ONE TRITERPENE AND/OR AT LEAST ONE TRITERPENOID AND/OR AT LEAST ONE OF THE GLYCOSYLATED FORMS THEREOF Tilman (BE) 2022-05-04 — — EP disclosed
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