SCHEMBL24595652

SCHEMBL24595652

C=CC(=O)OC(C)(C)CC(C)(C)Oc1ccc2cc(-c3ccc(CCCCC)cc3)c(=O)oc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
NPC1 O15118 8/20 0.42
RAB9A P51151 8/20 0.42
PTPN7 P35236 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 2/20 0.40
ACHE P22303 1/20 0.40
RXFP1 Q9HBX9 2/20 0.40
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
POLB P06746 1/20 0.39
MIF P14174 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
TP53 P04637 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL18535504 0.91 TP53 (0.48) NPC1RAB9APTPN7MEN1KMT2A
SCHEMBL25901149 0.91 THRB (0.51) THRBMEN1KMT2AACHEMAOB
SCHEMBL18583378 0.90 THRB (0.42) THRBNPC1RAB9APTPN7MEN1
SCHEMBL21116035 0.88 ACHE (0.42) THRBNPC1RAB9APTPN7MEN1
SCHEMBL18583373 0.87 THRB (0.41) THRBNPC1RAB9APTPN7MEN1
SCHEMBL18535617 0.87 NPC1 (0.41) NPC1RAB9APTPN7MEN1KMT2A
SCHEMBL21116026 0.87 THRB (0.45) THRBNPC1RAB9APTPN7MEN1
SCHEMBL18583697 0.87 THRB (0.40) THRBNPC1RAB9APTPN7MEN1
SCHEMBL18535602 0.86 ACHE (0.45) NPC1RAB9APTPN7MEN1KMT2A
SCHEMBL18583698 0.85 STS (0.48) NPC1RAB9APTPN7MEN1KMT2A

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