SCHEMBL10586264

SCHEMBL10586264

C/C=C\C1=C(C(=O)O)N2C(=O)C(NC(=O)[C@H](N)c3ccc(CO)c(O)c3)[C@@H]2SC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 2/20 0.77
▸ DRD2 P14416 1/20 0.77
▸ DRD3 P35462 1/20 0.77
▸ ALDH1A1 P00352 7/20 0.76
▸ MAPT P10636 7/20 0.76
▸ KMT2A Q03164 6/20 0.76
▸ MEN1 O00255 5/20 0.76
▸ HSD17B10 Q99714 7/20 0.57
▸ SLC15A2 Q16348 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ ESR1 P03372 1/20 0.57
▸ SLC22A6 Q4U2R8 1/20 0.57
▸ SLC22A8 Q8TCC7 1/20 0.57
▸ CYP3A4 P08684 4/20 0.54
▸ HPGD P15428 3/20 0.54
▸ TDP1 Q9NUW8 3/20 0.54
▸ CYP2C19 P33261 2/20 0.54
▸ BLM P54132 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ ADRA1A P35348 1/20 0.54

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
SCHEMBL10586256 1.00 PTGS2 (0.77) PTGS2DRD2DRD3ALDH1A1MAPT
SCHEMBL10817030 0.92 PTGS2 (0.82) PTGS2DRD2DRD3ALDH1A1MAPT
SCHEMBL10817022 0.92 PTGS2 (0.82) PTGS2DRD2DRD3ALDH1A1MAPT
SCHEMBL10586452 0.91 DRD2 (0.70) PTGS2DRD2DRD3ALDH1A1MAPT
SCHEMBL10586533 0.90 DRD2 (0.61) PTGS2DRD2DRD3ALDH1A1MAPT
SCHEMBL10795884 0.88 PTGS2 (0.78) PTGS2DRD2DRD3ALDH1A1MAPT
SCHEMBL10795876 0.88 PTGS2 (0.78) PTGS2DRD2DRD3ALDH1A1MAPT
SCHEMBL10529194 0.87 MAPT (0.75) PTGS2DRD2DRD3ALDH1A1MAPT
SCHEMBL10529189 0.87 MAPT (0.75) PTGS2DRD2DRD3ALDH1A1MAPT
Cefprozil Anhydrous, (E)- SCHEMBL5191958 0.87 PTGS2 (1.00) PTGS2DRD2DRD3ALDH1A1MAPT

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
EP-0321364-A2 Orally administrable cephalosporin derivatives, and the production and uses thereof ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JP) 1989-06-21 — — EP disclosed
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