SCHEMBL29709864

SCHEMBL29709864

CC(C)c1oc(=O)cc2c1[C@@H](O)[C@H]1OC(=O)[C@@]3(C)C[C@@H](O)[C@@H](O)[C@@]2(C)[C@@H]13

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 1.00
▸ HTT P42858 2/20 1.00
▸ SMN1; SMN2 Q16637 2/20 1.00
▸ NPC1 O15118 1/20 1.00
▸ MITF O75030 1/20 1.00
▸ NFKB1 P19838 1/20 1.00
▸ RAB9A P51151 1/20 1.00
▸ NFKB2 Q00653 1/20 1.00
▸ RELA Q04206 1/20 1.00
▸ POLB P06746 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
SCHEMBL18290307 1.00 LMNA (1.00) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL29709820 0.92 LMNA (0.84) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL18034516 0.85 LMNA (1.00) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL29709886 0.85 LMNA (1.00) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL18034509 0.85 LMNA (0.74) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL30496584 0.85 LMNA (0.74) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL18034499 0.82 LMNA (0.70) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL18034515 0.81 LMNA (0.84) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL18034638 0.81 LMNA (0.84) LMNAHTTSMN1; SMN2NPC1MITF
SCHEMBL18034494 0.81 LMNA (0.74) LMNAHTTSMN1; SMN2NPC1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119112854-A Application of agonist for targeting LXR alpha in liver macrophages 中国人民解放军军事科学院军事医学研究院 2024-12-13 — — CN disclosed
WO-2024189607-A1 METHODS AND BIOAVAILABLE HIGHLY PERMEABLE COMPOUNDS FOR DISEASES TREATMENT DIDENKO KIRILL (MX) 2024-09-19 — — WO disclosed
CN-107089993-B Hypolipidemic activity bamboo-cypress lactone compound, preparation method and application thereof 中国科学院上海药物研究所 2024-07-09 — — CN disclosed
CN-107405330-B Bamboo Bai ester compound with hypolipidemic activity, and preparation method and application thereof 中国科学院上海药物研究所 2023-08-01 — — CN disclosed
WO-2022143617-A1 NAGILACTONE COMPOUND AND USE THEREOF IN PREPARATION OF ANTI-TUMOR DRUG 中国科学院上海药物研究所 2022-07-07 — — WO disclosed
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