Sugi Predict

Sugi Predict / Compounds / SCHEMBL7950756

SCHEMBL7950756

SCHEMBL7950756

CCCCOc1ccc2occ(C(=O)OC)c(=O)c2c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 13/20 0.64
▸ MAOA P21397 3/20 0.64
▸ MTNR1A P48039 2/20 0.56
▸ MTNR1B P49286 1/20 0.48
▸ TSHR P16473 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ PLA2G2A P14555 1/20 0.46

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
SCHEMBL7950720 0.82 MAOB (0.79) MAOBMAOA
SCHEMBL8712698 0.77 MAOB (0.59) MAOBMAOATSHRALDH1A1
SCHEMBL3350981 0.77 MAOB (0.65) MAOBMAOATSHRALDH1A1
SCHEMBL7944024 0.76 MAOA (0.60) MAOBMAOAMTNR1A
SCHEMBL3345973 0.74 MAOB (0.51) MAOBMAOA
SCHEMBL21543811 0.74 MAOA (0.55) MAOBMAOATSHRALDH1A1PLA2G2A
SCHEMBL2746940 0.73 MAOB (0.85) MAOBMAOATSHRALDH1A1
SCHEMBL10381205 0.73 MAOB (0.71) MAOBMAOAALDH1A1
SCHEMBL16482859 0.73 MAOA (0.54) MAOBMAOAALDH1A1PLA2G2A
SCHEMBL2601407 0.73 MAOB (0.41) MAOBMAOATSHRALDH1A1PLA2G2A

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
US-6218427-B1 AS ENDOTHELIN RECEPTOR ANTAGONIST SHIONOGI & CO., LTD. (JP) 2001-04-17 — — US disclosed
EP-0924207-A1 CHROMENE-3-CARBOXYLATE DERIVATIVES SHIONOGI & CO., LTD. (JP) 1999-06-23 — — EP disclosed