SCHEMBL10586570

SCHEMBL10586570

COCC1=C(C(=O)O)N2C(=O)C(NC(=O)[C@H](N)c3ccc(CO)c(O)c3)[C@H]2SC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.63
▸ MAPT P10636 7/20 0.59
▸ HSD17B10 Q99714 6/20 0.59
▸ KMT2A Q03164 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ SLC15A2 Q16348 3/20 0.59
▸ LMNA P02545 2/20 0.59
▸ ESR1 P03372 1/20 0.59
▸ SLC22A6 Q4U2R8 1/20 0.59
▸ SLC22A8 Q8TCC7 1/20 0.59
▸ DRD2 P14416 1/20 0.55
▸ PTGS2 P35354 1/20 0.55
▸ DRD3 P35462 1/20 0.55
▸ ALDH1A1 P00352 7/20 0.55
▸ TDP1 Q9NUW8 4/20 0.54
▸ CYP3A4 P08684 3/20 0.54
▸ HPGD P15428 3/20 0.54
▸ BLM P54132 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MAPK1 P28482 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
SCHEMBL10586496 1.00 PTGS1 (0.63) PTGS1MAPTHSD17B10KMT2AMEN1
SCHEMBL10552664 0.89 MAPT (0.75) PTGS1MAPTHSD17B10KMT2AMEN1
SCHEMBL10552674 0.89 MAPT (0.75) PTGS1MAPTHSD17B10KMT2AMEN1
SCHEMBL11874716 0.88 PTGS1 (0.70) PTGS1MAPTHSD17B10KMT2AMEN1
SCHEMBL11874725 0.88 PTGS1 (0.70) PTGS1MAPTHSD17B10KMT2AMEN1
SCHEMBL10529194 0.87 MAPT (0.75) PTGS1MAPTHSD17B10KMT2AMEN1
SCHEMBL10529189 0.87 MAPT (0.75) PTGS1MAPTHSD17B10KMT2AMEN1
SCHEMBL11231884 0.86 PTGS1 (0.83) PTGS1MAPTHSD17B10KMT2AMEN1
SCHEMBL11231880 0.86 PTGS1 (0.83) PTGS1MAPTHSD17B10KMT2AMEN1
SCHEMBL11583209 0.86 PTGS1 (0.83) PTGS1MAPTHSD17B10KMT2AMEN1

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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