SCHEMBL9513899

SCHEMBL9513899

NC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)C(=CCC(=O)O)c3csc(N)n3)[C@@H]2SC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAP Q12884 1/20 0.67
▸ TDP1 Q9NUW8 8/20 0.65
▸ MAPT P10636 5/20 0.65
▸ APEX1 P27695 4/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ KDM4E B2RXH2 1/20 0.65
▸ CYP3A4 P08684 1/20 0.65
▸ SLC15A2 Q16348 1/20 0.65
▸ NR1I2 O75469 4/20 0.62
▸ ALB P02768 1/20 0.62
▸ PPARG P37231 1/20 0.62
▸ SLC22A6 Q4U2R8 1/20 0.62
▸ SLC22A8 Q8TCC7 1/20 0.62
▸ SLC22A11 Q9NSA0 1/20 0.62
▸ HTR2C P28335 1/20 0.61
▸ APAF1 O14727 2/20 0.55
▸ LMNA P02545 2/20 0.55
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ TSHR P16473 2/20 0.55
▸ PLCG1 P19174 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
SCHEMBL9513891 1.00 FAP (0.67) FAPTDP1MAPTAPEX1ALDH1A1
SCHEMBL10472780 0.93 MAPT (0.72) FAPTDP1MAPTAPEX1ALDH1A1
SCHEMBL10472778 0.93 MAPT (0.72) FAPTDP1MAPTAPEX1ALDH1A1
Cefcapene SCHEMBL419455 0.92 FAP (0.77) FAPTDP1MAPTAPEX1ALDH1A1
Cefcapene SCHEMBL419454 0.92 FAP (0.77) FAPTDP1MAPTAPEX1ALDH1A1
Cefcapene SCHEMBL419453 0.92 FAP (0.77) FAPTDP1MAPTAPEX1ALDH1A1
Cefcapene SCHEMBL2828959 0.92 FAP (0.79) FAPTDP1MAPTAPEX1ALDH1A1
Cefcapene SCHEMBL27739649 0.92 FAP (0.76) FAPTDP1MAPTAPEX1ALDH1A1
Cefcapene SCHEMBL2828956 0.92 FAP (0.79) FAPTDP1MAPTAPEX1ALDH1A1
SCHEMBL9513927 0.92 NR1I2 (0.73) FAPTDP1MAPTAPEX1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0136721-B1 Carboxyalkenamidocephalosporins SHIONOGI & CO (JP) 1993-12-29 — — EP claimed
US-4634697-A Carboxyalkenamidocephalosporins SHIONOGI & CO., LTD. (JP) 1987-01-06 — — US claimed
EP-0136721-A2 Carboxyalkenamidocephalosporins SHIONOGI & CO., LTD. (JP) 1985-04-10 — — EP claimed
EP-0136721-B1 Carboxyalkenamidocephalosporins SHIONOGI & CO (JP) 1993-12-29 — — EP disclosed
US-4912224-A Containing a aminothiazolyl or aminothiadiazolyl ring SHIONOGI & CO., LTD. (JP) 1990-03-27 — — US disclosed
US-4748170-A Carboxyalkenamidocephalosporins SHIONOGI & CO., LTD. (JP) 1988-05-31 — — US disclosed
US-4634697-A Carboxyalkenamidocephalosporins SHIONOGI & CO., LTD. (JP) 1987-01-06 — — US disclosed
EP-0136721-A2 Carboxyalkenamidocephalosporins SHIONOGI & CO., LTD. (JP) 1985-04-10 — — EP disclosed
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