SCHEMBL10913072

SCHEMBL10913072

CCOCCO/N=C(\C(=O)NC1C(=O)N2C(C(=O)O)=CCS[C@H]12)c1csc(NC=O)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.59
▸ PGR P06401 2/20 0.59
▸ PTGS2 P35354 1/20 0.59
▸ TDP1 Q9NUW8 8/20 0.50
▸ MAPT P10636 5/20 0.50
▸ APEX1 P27695 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ SLC15A2 Q16348 1/20 0.50
▸ APAF1 O14727 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ PLCG1 P19174 1/20 0.45
▸ ABCC2 Q92887 1/20 0.45
▸ SIRT5 Q9NXA8 1/20 0.45
▸ PSMD14 O00487 2/20 0.44
▸ MMP2 P08253 2/20 0.44
▸ HTR2C P28335 1/20 0.42

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
SCHEMBL10913073 1.00 NR1I2 (0.59) NR1I2PGRPTGS2TDP1MAPT
SCHEMBL10417709 0.92 NR1I2 (0.60) NR1I2PGRPTGS2TDP1MAPT
SCHEMBL10417710 0.92 NR1I2 (0.60) NR1I2PGRPTGS2TDP1MAPT
SCHEMBL10417404 0.91 NR1I2 (0.59) NR1I2PGRPTGS2TDP1MAPT
SCHEMBL10417763 0.91 NR1I2 (0.59) NR1I2PGRPTGS2TDP1MAPT
SCHEMBL10913201 0.91 NR1I2 (0.59) NR1I2PGRPTGS2TDP1MAPT
SCHEMBL10913199 0.91 NR1I2 (0.59) NR1I2PGRPTGS2TDP1MAPT
SCHEMBL10418009 0.91 NR1I2 (0.59) NR1I2PGRPTGS2TDP1MAPT
SCHEMBL10418010 0.91 NR1I2 (0.59) NR1I2PGRPTGS2TDP1MAPT
SCHEMBL10418570 0.90 NR1I2 (0.60) NR1I2PGRPTGS2TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4598147-A THIAZOLE INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1986-07-01 — — US disclosed
EP-0007633-B1 CEPHEM COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-04-18 — — EP disclosed
US-4372952-A Cephem compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1983-02-08 — — US disclosed
EP-0049539-A1 Thiazole derivatives for preparing cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-04-14 — — EP disclosed
US-4284631-A 7-Substituted cephem compounds and pharmaceutical antibacterial compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-18 — — US disclosed
EP-0007633-A2 Cephem compounds, processes for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-02-06 — — EP disclosed
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