SCHEMBL10839231

SCHEMBL10839231

COC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(N)c3ccc(O)cc3)[C@@H]2SC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.77
▸ HSD17B10 Q99714 7/20 0.77
▸ KMT2A Q03164 6/20 0.77
▸ MEN1 O00255 5/20 0.77
▸ SLC15A2 Q16348 3/20 0.77
▸ LMNA P02545 2/20 0.77
▸ ESR1 P03372 1/20 0.77
▸ SLC22A6 Q4U2R8 1/20 0.77
▸ SLC22A8 Q8TCC7 1/20 0.77
▸ PTGS2 P35354 2/20 0.71
▸ DRD2 P14416 1/20 0.71
▸ DRD3 P35462 1/20 0.71
▸ ALDH1A1 P00352 7/20 0.70
▸ PTGS1 P23219 2/20 0.67
▸ CYP3A4 P08684 4/20 0.65
▸ HPGD P15428 3/20 0.65
▸ TDP1 Q9NUW8 3/20 0.65
▸ CYP2C19 P33261 2/20 0.65
▸ BLM P54132 1/20 0.65
▸ MAPK1 P28482 1/20 0.65

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
SCHEMBL10839225 1.00 MAPT (0.77) MAPTHSD17B10KMT2AMEN1SLC15A2
SCHEMBL11802087 0.92 ALDH1A1 (0.76) MAPTHSD17B10KMT2AMEN1SLC15A2
SCHEMBL11231581 0.92 ALDH1A1 (0.76) MAPTHSD17B10KMT2AMEN1SLC15A2
SCHEMBL11154468 0.92 ALDH1A1 (0.76) MAPTHSD17B10KMT2AMEN1SLC15A2
SCHEMBL11154449 0.92 ALDH1A1 (0.76) MAPTHSD17B10KMT2AMEN1SLC15A2
SCHEMBL11055755 0.92 ALDH1A1 (0.76) MAPTHSD17B10KMT2AMEN1SLC15A2
SCHEMBL10811020 0.92 ALDH1A1 (0.76) MAPTHSD17B10KMT2AMEN1SLC15A2
SCHEMBL11045122 0.92 ALDH1A1 (0.76) MAPTHSD17B10KMT2AMEN1SLC15A2
Water SCHEMBL11324180 0.91 HSD17B10 (0.77) MAPTHSD17B10KMT2AMEN1SLC15A2
Hydrochloric Acid SCHEMBL10840101 0.91 ALDH1A1 (0.75) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4579684-A Process for the manufacture of enol derivatives CIBA-GEIGY CORPORATION (US) 1986-04-01 — — US disclosed
US-4550162-A Process for the manufacture of enol derivatives CIBA-GEIGY CORPORATION (US) 1985-10-29 — — US disclosed
US-4434287-A Cephalosporin derivatives CIBA-GEIGY CORPORATION (US) 1984-02-28 — — US disclosed
US-4405778-A Process for preparing cephalosporin ethers CIBA-GEIGY CORPORATION (US) 1983-09-20 — — US disclosed
US-4319027-A Process for the manufacture of ceohem enol derivatives CIBA-GEIGY CORPORATION (US) 1982-03-09 — — US disclosed
US-4301278-A BY HYDROGENATION IN THE PRESENCE OF A CATALYST CIBA-GEIGY CORPORATION (US) 1981-11-17 — — US disclosed
US-4293462-A Process for the manufacture of enol derivatives, and intermediates CIBA-GEIGY CORPORATION (US) 1981-10-06 — — US disclosed
US-4255328-A CEPHALOSPORINS CIBA-GEIGY CORPORATION (US) 1981-03-10 — — US disclosed
US-4147864-A Process for the manufacture of 7β-amino-3-cephem-3-ol-4 carboxylic acid compounds CIBA-GEIGY CORPORATION (US) 1979-04-03 — — US disclosed
US-4110533-A PROCESS FOR THE MANUFACTURE OF ENOL DERIVATIVES CIBA-GEIGY CORPORATION (US) 1978-08-29 — — US disclosed
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