SCHEMBL11277705

SCHEMBL11277705

CC(C)(C)C(=O)OCOC(=O)C1=C(Cl)CS[C@@H]2C(NC(=O)/C(=N\OCC(=O)O)c3csc(N)n3)C(=O)N12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.73
▸ MAPT P10636 4/20 0.64
▸ FAP Q12884 2/20 0.64
▸ ALDH1A1 P00352 2/20 0.64
▸ USP2 O75604 1/20 0.64
▸ CYP3A4 P08684 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ TDP1 Q9NUW8 7/20 0.63
▸ APEX1 P27695 3/20 0.63
▸ APAF1 O14727 2/20 0.63
▸ LMNA P02545 2/20 0.63
▸ L3MBTL1 Q9Y468 2/20 0.63
▸ TSHR P16473 1/20 0.63
▸ PLCG1 P19174 1/20 0.63
▸ ABCC2 Q92887 1/20 0.63
▸ SIRT5 Q9NXA8 1/20 0.63
▸ PSMD14 O00487 1/20 0.62
▸ MMP2 P08253 1/20 0.62
▸ NR1I2 O75469 5/20 0.55
▸ HTR2C P28335 1/20 0.55

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
SCHEMBL11277715 1.00 PTGS1 (0.73) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL11144000 0.92 PTGS1 (0.85) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL11143995 0.92 PTGS1 (0.85) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10345426 0.91 PTGS1 (0.71) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL9481105 0.91 TDP1 (0.78) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10345427 0.91 PTGS1 (0.71) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL9481116 0.91 TDP1 (0.78) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL11280888 0.89 PTGS1 (0.65) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL11280885 0.89 PTGS1 (0.65) PTGS1MAPTFAPALDH1A1USP2
SCHEMBL10362077 0.89 MAPT (0.70) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0048915-A2 New cephem compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-04-07 — — EP claimed
EP-0048915-A2 New cephem compounds, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-04-07 — — EP disclosed
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