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Sugi Predict / Compounds / SCHEMBL29485172

SCHEMBL29485172

SCHEMBL29485172

COc1cc(/C=C/C(=O)O[C@H]2CC[C@@]3(C)C(CC[C@]4(C)C3CC=C3C5CC(C)(C)CC[C@]5(C(=O)O)CC[C@]34C)C2(C)C)ccc1O

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 9/20 0.79
▸ PTPN2 P17706 5/20 0.79
▸ ACP1 P24666 2/20 0.79
▸ PLCG1 P19174 3/20 0.70
▸ USP2 O75604 1/20 0.67
▸ CETP P11597 2/20 0.62
▸ GYS2 P54840 1/20 0.62

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
SCHEMBL3952302 0.94 PTPN1 (0.82) PTPN1PTPN2ACP1USP2CETP
SCHEMBL30637482 0.94 PTPN1 (0.82) PTPN1PTPN2ACP1USP2CETP
SCHEMBL22335213 0.88 PTPN1 (1.00) PTPN1PTPN2ACP1USP2CETP
SCHEMBL31237492 0.83 PLCG1 (0.78) PTPN1PTPN2ACP1PLCG1USP2
SCHEMBL29711176 0.82 PLCG1 (1.00) PTPN1PTPN2ACP1PLCG1
SCHEMBL31510833 0.81 PTPN1 (0.74) PTPN1PTPN2ACP1USP2
SCHEMBL3952674 0.81 POLB (0.70) PTPN1PTPN2ACP1PLCG1USP2
Acetyl Oleanolic Acid SCHEMBL23284080 0.81 PTPN1 (1.00) PTPN1PTPN2ACP1USP2CETP
Acetyl Oleanolic Acid SCHEMBL21703054 0.81 PTPN1 (1.00) PTPN1PTPN2ACP1USP2CETP
Acetyl Oleanolic Acid SCHEMBL16175431 0.81 PTPN1 (1.00) PTPN1PTPN2ACP1USP2CETP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114133424-A Triterpenoid compound and preparation method and application thereof 沈阳药科大学 2022-03-04 — — CN disclosed