SCHEMBL10586533

SCHEMBL10586533

C=CC1=C(C(=O)O)N2C(=O)C(NC(=O)[C@H](N)c3ccc(CO)c(O)c3)[C@@H]2SC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.61
▸ PTGS2 P35354 1/20 0.61
▸ DRD3 P35462 1/20 0.61
▸ MAPT P10636 7/20 0.61
▸ ALDH1A1 P00352 7/20 0.61
▸ KMT2A Q03164 5/20 0.61
▸ MEN1 O00255 4/20 0.61
▸ HSD17B10 Q99714 6/20 0.56
▸ SLC15A2 Q16348 3/20 0.56
▸ LMNA P02545 2/20 0.56
▸ ESR1 P03372 1/20 0.56
▸ SLC22A6 Q4U2R8 1/20 0.56
▸ SLC22A8 Q8TCC7 1/20 0.56
▸ TDP1 Q9NUW8 5/20 0.56
▸ POLB P06746 1/20 0.56
▸ PKM P14618 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ DUSP3 P51452 1/20 0.56
▸ PTPN5 P54829 1/20 0.56
▸ PTPN11 Q06124 1/20 0.56

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
SCHEMBL10586264 0.90 PTGS2 (0.77) DRD2PTGS2DRD3MAPTALDH1A1
SCHEMBL10586256 0.90 PTGS2 (0.77) DRD2PTGS2DRD3MAPTALDH1A1
SCHEMBL10529189 0.87 MAPT (0.75) DRD2PTGS2DRD3MAPTALDH1A1
SCHEMBL10529194 0.87 MAPT (0.75) DRD2PTGS2DRD3MAPTALDH1A1
SCHEMBL11585032 0.85 ALDH1A1 (0.73) DRD2PTGS2DRD3MAPTALDH1A1
SCHEMBL11587336 0.85 ALDH1A1 (0.73) DRD2PTGS2DRD3MAPTALDH1A1
SCHEMBL11585026 0.85 ALDH1A1 (0.73) DRD2PTGS2DRD3MAPTALDH1A1
SCHEMBL11587339 0.85 ALDH1A1 (0.73) DRD2PTGS2DRD3MAPTALDH1A1
SCHEMBL11586741 0.84 DRD2 (0.61) DRD2PTGS2DRD3MAPTALDH1A1
SCHEMBL11586739 0.84 DRD2 (0.61) DRD2PTGS2DRD3MAPTALDH1A1

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 claimed
Send feedback