SCHEMBL30096035

SCHEMBL30096035

O=C(c1cccc(-c2ccc(-c3cn(C(=O)N4CCCCC4c4ccccc4)nn3)cc2)c1)N1CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ABHD6 Q9BV23 6/20 1.00
▸ DAGLA Q9Y4D2 12/20 0.57
▸ DAGLB Q8NCG7 5/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL13192449 0.88 ABHD6 (0.77) ABHD6DAGLADAGLB
SCHEMBL13192356 0.84 ABHD6 (0.72) ABHD6DAGLADAGLB
SCHEMBL15426547 0.82 ABHD6 (0.69) ABHD6DAGLADAGLB
SCHEMBL13192822 0.81 ABHD6 (0.67) ABHD6DAGLADAGLB
SCHEMBL15426550 0.81 ABHD6 (0.67) ABHD6DAGLADAGLB
SCHEMBL13192833 0.79 ABHD6 (0.66) ABHD6DAGLADAGLB
SCHEMBL15427259 0.76 DAGLA (0.84) ABHD6DAGLADAGLB
SCHEMBL30095999 0.76 DAGLA (0.84) ABHD6DAGLADAGLB
SCHEMBL23440313 0.73 HPGD (0.71) MEN1NPC1ALDH1A1HPGDRAB9A
SCHEMBL29699833 0.73 HPGD (0.71) MEN1NPC1ALDH1A1HPGDRAB9A

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
WO-2025017210-A1 MONOGLYCERIDE LIPASE INHIBITORS IN THE TREATMENT OF PANCREATIC CANCER KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2025-01-23 — — WO disclosed
WO-2022248733-A1 USE OF ESTETROL IN TREATMENT OF RESPIRATORY INFECTION DISEASES NEURALIS SA (BE) 2022-12-01 — — WO disclosed
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