SCHEMBL24595604

SCHEMBL24595604

C=C(C)C(=O)OC(C)(C)CC(C)(C)Oc1ccc2oc(=O)c(-c3ccc(CCCCC)cc3)cc2c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAPDH P04406 4/20 0.46
MAOB P27338 9/20 0.44
ACHE P22303 3/20 0.40
TP53 P04637 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
BCHE P06276 1/20 0.37
S1PR1 P21453 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL803184 0.85 GAPDH (0.58) GAPDHMAOBACHETP53CA1
SCHEMBL24595685 0.84 TP53 (0.48) MAOBTP53CA1CA2S1PR1
SCHEMBL21116027 0.83 ADORA3 (0.45) NPC1RAB9A
SCHEMBL23713544 0.82 NPC1 (0.48) MAOBACHETP53BCHENPC1
SCHEMBL18583372 0.82 MAOB (0.52) GAPDHMAOBACHETP53BCHE
SCHEMBL24595652 0.82 THRB (0.47) MAOBACHETP53NPC1RAB9A
SCHEMBL21116040 0.81 MAOB (0.36) MAOBNPC1RAB9A
SCHEMBL21116065 0.80 MAOB (0.36) MAOBNPC1RAB9A
SCHEMBL18535449 0.80 MAOB (0.35) MAOBCA2S1PR1NPC1RAB9A
SCHEMBL19803727 0.79 MAOB (0.60) GAPDHMAOBACHETP53CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327779-A2 SYSTEM AND METHOD AMO Ireland (IE) 2024-02-28 EP disclosed
EP-3958788-B1 SYSTEM AND METHOD AMO Ireland (IE) 2023-11-22 EP disclosed
EP-3728339-B1 COMPOSITION FOR OPHTHALMOLOGICAL PRODUCTS AMO Ireland (IE) 2022-07-06 EP disclosed