Sugi Predict

Sugi Predict / Compounds / SCHEMBL22360583

SCHEMBL22360583

SCHEMBL22360583

CC(=O)OC1CCC2(C)C3CCC4C(CCC5(N)CCCC45)C3CCC2C1(C)C

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 1/20 0.45
▸ HSD11B1 P28845 2/20 0.41
▸ F10 P00742 2/20 0.39
▸ GPBAR1 Q8TDU6 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ SLC10A1 Q14973 1/20 0.37

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
SCHEMBL22360570 0.90 ACHE (0.49) ACHEHSD11B1GPBAR1
SCHEMBL22360569 0.83 ACHE (0.44) ACHEHSD11B1GPBAR1
SCHEMBL23766686 0.78 GPBAR1 (0.53) HSD11B1GPBAR1CA9SLC10A1
SCHEMBL22360719 0.77 ACHE (0.39) ACHEHSD11B1F10SLC10A1
SCHEMBL14083503 0.75 ACHE (0.49) ACHEHSD11B1SLC10A1
SCHEMBL12828973 0.74 HSD17B10 (0.49) ACHEHSD11B1GPBAR1
SCHEMBL14049657 0.74 HSD17B10 (0.49) ACHEHSD11B1GPBAR1
SCHEMBL16433961 0.74 ACHE (0.47) ACHEHSD11B1F10SLC10A1
SCHEMBL23766705 0.73 ACHE (0.46) ACHEHSD11B1GPBAR1
SCHEMBL13781789 0.72 SLC10A1 (0.51) ACHEHSD11B1CA9SLC10A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924361-B1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LTD (IN) 2023-09-06 — — EP disclosed
WO-2020165741-A1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LIMITED (IN) 2020-08-20 — — WO disclosed