SCHEMBL29029499

SCHEMBL29029499

O=C1NC(=O)/C(=C/c2ccc(OC3CCNCC3)cc2)S1

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 13/20 0.78
▸ PIM1 P11309 5/20 0.58
▸ PIM2 Q9P1W9 5/20 0.58
▸ AKR1B1 P15121 2/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ PDE4B Q07343 1/20 0.53
▸ PIM3 Q86V86 1/20 0.53

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
SCHEMBL29029500 1.00 HPGD (0.78) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL6865620 0.87 HPGD (1.00) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL1299639 0.87 HPGD (1.00) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL1299642 0.87 HPGD (1.00) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL30864156 0.85 HPGD (0.76) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL1291670 0.82 GPR119 (0.67) HPGDAKR1B1NPC1RAB9A
SCHEMBL1291506 0.80 GPR119 (0.71) HPGDPIM1PIM2AKR1B1NPC1
SCHEMBL29029517 0.80 GSK3B (0.57) HPGDRAB9A
SCHEMBL29029516 0.80 GSK3B (0.57) HPGDRAB9A
SCHEMBL30440951 0.79 HPGD (0.66) HPGDPIM1PIM2AKR1B1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4563573-A1 COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF SEH INHIBITOR AND PPARS AGONIST Shenyang Pharmaceutical University (CN) 2025-06-04 — — EP disclosed
WO-2024193129-A1 COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PREPARATION OF SEH INHIBITOR AND PPARS AGONIST 沈阳药科大学 2024-09-26 — — WO disclosed
CN-118206542-A Compound, preparation method thereof and application of compound in preparation of sEH inhibitor and PPARs agonist 沈阳药科大学 2024-06-18 — — CN disclosed
CN-118206473-A Compound, preparation method thereof and application of compound in preparation of sEH inhibitor and PPARs agonist 沈阳药科大学 2024-06-18 — — CN disclosed
CN-118184545-A Compound, preparation method thereof and application of compound in preparation of sEH inhibitor and PPARs agonist 沈阳药科大学 2024-06-14 — — CN disclosed
CN-116217511-B Double-target compound, preparation method thereof and application thereof in preparation of sEH inhibitor and PPARs agonist 沈阳药科大学 2024-04-19 — — CN disclosed
CN-116217511-A Double-target compound, preparation method thereof and application thereof in preparation of sEH inhibitor and PPARs agonist 沈阳药科大学 2023-06-06 — — CN disclosed
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