SCHEMBL5712723

SCHEMBL5712723

CC(C)(ON=C(C(=O)NC1C(=O)N2C(OC(=O)O)=C(C=Cc3ccc([N+](=O)[O-])cc3)CS[C@@H]12)c1csc(N)n1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 4/20 0.55
▸ ESR1 P03372 2/20 0.55
▸ PGR P06401 2/20 0.55
▸ PPARG P37231 2/20 0.55
▸ TDP1 Q9NUW8 7/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ 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
▸ USP2 O75604 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ PSMD14 O00487 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ PTGS2 P35354 1/20 0.48
▸ MAPT P10636 5/20 0.47

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
SCHEMBL5712655 0.92 NR1I2 (0.57) NR1I2ESR1PGRPPARGTDP1
SCHEMBL4202194 0.91 NR1I2 (0.60) NR1I2ESR1PGRPPARGTDP1
SCHEMBL4202196 0.91 NR1I2 (0.60) NR1I2ESR1PGRPPARGTDP1
SCHEMBL5712769 0.91 NR1I2 (0.52) NR1I2ESR1PGRPPARGTDP1
SCHEMBL5712684 0.90 TDP1 (0.55) NR1I2ESR1PGRPPARGTDP1
SCHEMBL5712706 0.90 TDP1 (0.62) NR1I2ESR1PGRPPARGTDP1
SCHEMBL9023758 0.89 NR1I2 (0.54) NR1I2ESR1PGRPPARGTDP1
SCHEMBL9023217 0.88 NR1I2 (0.53) NR1I2ESR1PGRPPARGTDP1
SCHEMBL10354146 0.84 NR1I2 (0.61) NR1I2ESR1PGRPPARGTDP1
SCHEMBL4200080 0.83 NR1I2 (0.65) NR1I2ESR1PGRPPARGTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1325923-B1 CEPHEM COMPOUNDS AND ESBL-DETECTING REAGENTS CONTAINING THE SAME ZENYAKU KOGYO KK (JP) 2006-12-06 — — EP claimed
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