SCHEMBL11008934

SCHEMBL11008934

Cn1nnnc1SCC1(C(=O)O)CS[C@@H]2C(NC(=O)C(=NOCC(=O)OC(C)(C)C)c3csc(NC=O)n3)C(=O)N2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.44
▸ PGR P06401 4/20 0.44
▸ TDP1 Q9NUW8 6/20 0.37
▸ APAF1 O14727 2/20 0.37
▸ APEX1 P27695 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ PLCG1 P19174 1/20 0.37
▸ ABCC2 Q92887 1/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ PSMD14 O00487 1/20 0.37
▸ MMP2 P08253 1/20 0.37
▸ PPARG P37231 2/20 0.32
▸ DAO P14920 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ CYP2J2 P51589 1/20 0.32
▸ SLC22A6 Q4U2R8 1/20 0.32
▸ SLC22A8 Q8TCC7 1/20 0.32
▸ SLC22A11 Q9NSA0 1/20 0.32

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
SCHEMBL11011011 0.94 NR1I2 (0.46) NR1I2PGRTDP1APAF1APEX1
SCHEMBL11008120 0.93 NR1I2 (0.44) NR1I2PGRTDP1APAF1APEX1
SCHEMBL11010310 0.92 NR1I2 (0.37) NR1I2PGRTDP1APAF1APEX1
SCHEMBL11048191 0.92 NR1I2 (0.37) NR1I2PGRTDP1APAF1APEX1
SCHEMBL10782180 0.92 NR1I2 (0.36) NR1I2PGRTDP1APAF1APEX1
SCHEMBL10743854 0.91 NR1I2 (0.42) NR1I2PGRTDP1APAF1APEX1
SCHEMBL10744594 0.91 NR1I2 (0.44) NR1I2PGRTDP1APAF1APEX1
SCHEMBL11011207 0.91 NR1I2 (0.45) NR1I2PGRTDP1APAF1APEX1
SCHEMBL9658270 0.91 NR1I2 (0.53) NR1I2PGRTDP1APAF1APEX1
SCHEMBL10740861 0.90 NR1I2 (0.44) NR1I2PGRTDP1APAF1APEX1

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
US-4493833-A BACTERICIDES, ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-01-15 — — US disclosed
US-4304770-A Syn-isomer of 3,7-disubstituted-3-cephem-4-carboxylic acid compounds and processes for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-12-08 — — US disclosed
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