SCHEMBL10645890

SCHEMBL10645890

CCOC(=O)OC(C)OC(=O)C1=C(SC)CS[C@@H]2C(NC(=O)/C(=N\OCC(=O)OC(c3ccccc3)c3ccccc3)c3csc(N)n3)C(=O)N12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.55
▸ ABCB11 O95342 1/20 0.55
▸ PDE4D Q08499 1/20 0.55
▸ TDP1 Q9NUW8 5/20 0.49
▸ APEX1 P27695 3/20 0.49
▸ APAF1 O14727 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ PLCG1 P19174 1/20 0.49
▸ ABCC2 Q92887 1/20 0.49
▸ SIRT5 Q9NXA8 1/20 0.49
▸ PSMD14 O00487 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ NR1I2 O75469 6/20 0.48
▸ MAPT P10636 3/20 0.48
▸ PPARG P37231 3/20 0.48
▸ SLC22A6 Q4U2R8 2/20 0.48
▸ SLC22A8 Q8TCC7 2/20 0.48
▸ SLC22A11 Q9NSA0 2/20 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
SCHEMBL10645896 1.00 PTGS1 (0.55) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10643198 0.94 PTGS1 (0.54) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10643194 0.94 PTGS1 (0.54) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10645538 0.94 PTGS1 (0.61) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10645527 0.94 PTGS1 (0.61) PTGS1ABCB11PDE4DTDP1APEX1
Hydrochloric Acid SCHEMBL10646018 0.91 PTGS1 (0.61) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10644067 0.91 PTGS1 (0.61) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10644076 0.91 PTGS1 (0.61) PTGS1ABCB11PDE4DTDP1APEX1
Hydrochloric Acid SCHEMBL10646028 0.91 PTGS1 (0.61) PTGS1ABCB11PDE4DTDP1APEX1
SCHEMBL10345748 0.89 TDP1 (0.55) PTGS1ABCB11PDE4DTDP1APEX1

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-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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