Sugi Predict

Sugi Predict / Compounds / SCHEMBL27323916

SCHEMBL27323916

SCHEMBL27323916

COc1ccc2c(c1)CCCCC(=O)c1cc(OC)ccc1-2

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 8/20 0.51
▸ MAOB P27338 8/20 0.51
▸ KDM4E B2RXH2 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ METAP1 P53582 2/20 0.47
▸ MAPK14 Q16539 3/20 0.46
▸ PRNP P04156 1/20 0.46
▸ MIF P14174 1/20 0.46
▸ MPO P05164 1/20 0.45

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
SCHEMBL29756894 0.92 MAOA (0.58) MAOAMAOBKDM4EHTTMETAP1
SCHEMBL1495967 0.92 MAOA (0.58) MAOAMAOBKDM4EHTTMETAP1
SCHEMBL115638 0.88 MAOA (0.58) MAOAMAOBKDM4EHTTMETAP1
SCHEMBL5146484 0.85 MAOB (0.58) MAOAMAOBKDM4EHTTMETAP1
SCHEMBL7510392 0.83 METAP1 (0.54) MAOAMAOBKDM4EHTTMETAP1
Sulfuric Acid SCHEMBL28143763 0.83 MAOA (0.54) MAOAMAOBKDM4EHTTMAPK14
SCHEMBL120284 0.81 MAOB (0.58) MAOAMAOBKDM4EHTTMETAP1
SCHEMBL29726357 0.81 MAOB (0.58) MAOAMAOBKDM4EHTTMETAP1
SCHEMBL268592 0.81 KDM4E (0.56) MAOBKDM4EHTTMETAP1PRNP
SCHEMBL2600440 0.81 KDM4E (0.59) KDM4EHTTMETAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024025953-A2 THERAPEUTIC USES OF UROLITHIN DERIVATIVES VANDRIA SA (CH) 2024-02-01 — — WO disclosed