Ivalin

Ivalin

SCHEMBL27903663

C=C1C(=O)O[C@@H]2C[C@@]3(C)C[C@@H](O)CC(=C)[C@@H]3C[C@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 13/20 0.63
▸ CYP2D6 P10635 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ STAT3 P40763 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ TDP1 Q9NUW8 1/20 0.63
▸ PTGS2 P35354 2/20 0.50

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
Isoalantolactone SCHEMBL15944432 0.77 NLRP3 (1.00) NLRP3CYP2D6CYP2C9CYP2C19STAT3
Isoalantolactone SCHEMBL510111 0.77 NLRP3 (1.00) NLRP3CYP2D6CYP2C9CYP2C19STAT3
Isoalantolactone SCHEMBL14029266 0.77 NLRP3 (1.00) NLRP3CYP2D6CYP2C9CYP2C19STAT3
Isoalantolactone SCHEMBL8223246 0.77 NLRP3 (1.00) NLRP3CYP2D6CYP2C9CYP2C19STAT3
Asperilin SCHEMBL29930494 0.73 NLRP3 (0.58) NLRP3CYP2D6CYP2C9CYP2C19STAT3
Granilin SCHEMBL16596107 0.71 NLRP3 (0.50) NLRP3CYP2D6CYP2C9CYP2C19STAT3
SCHEMBL30462321 0.70 NLRP3 (0.55) NLRP3CYP2D6CYP2C9CYP2C19STAT3
SCHEMBL29934916 0.68 PTGS2 (0.50) NLRP3CYP2D6CYP2C9CYP2C19STAT3
SCHEMBL8513390 0.67 PTGS2 (0.48) NLRP3CYP2D6CYP2C9CYP2C19STAT3
SCHEMBL13555455 0.67 PTGS2 (0.48) NLRP3CYP2D6CYP2C9CYP2C19STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114830174-A Image analysis system for identifying lung features 塞弗拉有限公司 2022-07-29 — — CN disclosed
CN-114728022-A Universal donor selection method for identifying NK cell donors 全国儿童医院研究所 2022-07-08 — — CN disclosed
CN-109522225-B Automatic test assertion method and device, test platform and storage medium 网宿科技股份有限公司 2022-06-07 — — CN disclosed
CN-111893068-B Elizabethkinggiaanophilus 279-2 strain and application thereof 华南农业大学 2022-04-19 — — CN disclosed
CN-104910114-A Preparation method of Ivalin and application of Ivalin in anti-leukemia drugs NANJING ZELANG MEDICAL TECH CO 2015-09-16 — — CN disclosed
CN-102863415-A Production technique of Ivalin NANJING ZELANG AGRI DEV CO LTD 2013-01-09 — — CN disclosed
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