SCHEMBL10529194

SCHEMBL10529194

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

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.75
▸ HSD17B10 Q99714 7/20 0.75
▸ KMT2A Q03164 6/20 0.75
▸ MEN1 O00255 5/20 0.75
▸ SLC15A2 Q16348 3/20 0.75
▸ LMNA P02545 2/20 0.75
▸ ESR1 P03372 1/20 0.75
▸ SLC22A6 Q4U2R8 1/20 0.75
▸ SLC22A8 Q8TCC7 1/20 0.75
▸ ALDH1A1 P00352 7/20 0.72
▸ CYP3A4 P08684 4/20 0.72
▸ HPGD P15428 3/20 0.72
▸ TDP1 Q9NUW8 3/20 0.72
▸ BLM P54132 2/20 0.72
▸ CYP2C19 P33261 2/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ ADRA1A P35348 1/20 0.72
▸ HTR2B P41595 1/20 0.72
▸ KDM4E B2RXH2 6/20 0.59
▸ PTGS2 P35354 2/20 0.59

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
SCHEMBL10529189 1.00 MAPT (0.75) MAPTHSD17B10KMT2AMEN1SLC15A2
SCHEMBL11454921 0.88 MAPT (0.73) MAPTHSD17B10KMT2AMEN1SLC15A2
SCHEMBL10586256 0.87 PTGS2 (0.77) MAPTHSD17B10KMT2AMEN1SLC15A2
SCHEMBL10586264 0.87 PTGS2 (0.77) MAPTHSD17B10KMT2AMEN1SLC15A2
SCHEMBL10586496 0.87 PTGS1 (0.63) MAPTHSD17B10KMT2AMEN1SLC15A2
SCHEMBL10586570 0.87 PTGS1 (0.63) MAPTHSD17B10KMT2AMEN1SLC15A2
SCHEMBL10586533 0.87 DRD2 (0.61) MAPTHSD17B10KMT2AMEN1SLC15A2
Cefedrolor SCHEMBL11844563 0.86 MAPT (0.76) MAPTHSD17B10KMT2AMEN1SLC15A2
Cefedrolor SCHEMBL29424662 0.86 MAPT (0.76) MAPTHSD17B10KMT2AMEN1SLC15A2
Cefedrolor SCHEMBL11844571 0.86 MAPT (0.76) MAPTHSD17B10KMT2AMEN1SLC15A2

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 4 patents. 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
JP-1157988-A — — None — — JP disclosed
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
JP-H01157988-A ORAL CEPHALOSPORIN DERIVATIVE MICROBIAL CHEM RES FOUND 1989-06-21 — — JP disclosed
Send feedback