SCHEMBL10345860

SCHEMBL10345860

CSC1=C(C(=O)OCOC(=O)C(C)(C)C)N2C(=O)C(NC(=O)/C(=N\OCC(=O)OC(c3ccccc3)c3ccccc3)c3csc(N)n3)[C@H]2SC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.63
▸ MAPT P10636 4/20 0.56
▸ FAP Q12884 2/20 0.56
▸ ALDH1A1 P00352 2/20 0.56
▸ USP2 O75604 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ HPGD P15428 1/20 0.56
▸ TDP1 Q9NUW8 6/20 0.50
▸ APEX1 P27695 3/20 0.50
▸ APAF1 O14727 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ PLCG1 P19174 1/20 0.50
▸ ABCC2 Q92887 1/20 0.50
▸ SIRT5 Q9NXA8 1/20 0.50
▸ PSMD14 O00487 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ NR1I2 O75469 5/20 0.48
▸ PPARG P37231 3/20 0.48

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
SCHEMBL10345862 1.00 PTGS1 (0.63) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10648572 0.94 PTGS1 (0.62) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL11280885 0.92 PTGS1 (0.65) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL11280888 0.92 PTGS1 (0.65) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL9481364 0.91 PTGS1 (0.63) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL9481374 0.91 PTGS1 (0.63) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10345427 0.90 PTGS1 (0.71) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10644623 0.90 TDP1 (0.60) PTGS1MAPTALDH1A1TDP1APEX1
SCHEMBL10643291 0.90 TDP1 (0.60) PTGS1MAPTALDH1A1TDP1APEX1
SCHEMBL10345426 0.90 PTGS1 (0.71) PTGS1MAPTFAPALDH1A1USP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0191507-B1 NEW 2-OXYIMINO-3-OXOBUTYRIC ACID DERIVATIVES AND PROCESS FOR PREPARATION THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-05-16 — — EP disclosed
EP-0057422-B1 NEW CEPHEM COMPOUNDS, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-10-12 — — EP disclosed
EP-0191507-A2 New 2-oxyimino-3-oxobutyric acid derivatives and process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-08-20 — — EP disclosed
US-4452851-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-06-05 — — US disclosed
EP-0057422-A2 New cephem compounds, processes for preparation thereof and pharmaceutical composition containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-08-11 — — EP disclosed
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