SCHEMBL10630191

SCHEMBL10630191

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.55
▸ PGR P06401 3/20 0.55
▸ APAF1 O14727 2/20 0.46
▸ PSMD14 O00487 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ TDP1 Q9NUW8 6/20 0.45
▸ APEX1 P27695 2/20 0.45
▸ LMNA P02545 1/20 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
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PTGS2 P35354 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ PPARG P37231 2/20 0.41
▸ SLC22A6 Q4U2R8 2/20 0.41
▸ SLC22A8 Q8TCC7 2/20 0.41
▸ SLC22A11 Q9NSA0 2/20 0.41

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
SCHEMBL10632134 0.94 NR1I2 (0.54) NR1I2PGRAPAF1PSMD14MMP2
SCHEMBL11004980 0.94 NR1I2 (0.57) NR1I2PGRAPAF1PSMD14MMP2
SCHEMBL10747037 0.92 NR1I2 (0.55) NR1I2PGRAPAF1PSMD14MMP2
SCHEMBL10744052 0.92 NR1I2 (0.56) NR1I2PGRAPAF1PSMD14MMP2
Hydrochloric Acid SCHEMBL10746059 0.92 NR1I2 (0.56) NR1I2PGRAPAF1PSMD14MMP2
SCHEMBL11107647 0.92 NR1I2 (0.56) NR1I2PGRAPAF1PSMD14MMP2
Hydrochloric Acid SCHEMBL10740147 0.92 NR1I2 (0.56) NR1I2PGRAPAF1PSMD14MMP2
SCHEMBL11009979 0.92 NR1I2 (0.56) NR1I2PGRAPAF1PSMD14MMP2
SCHEMBL10745848 0.92 NR1I2 (0.56) NR1I2PGRAPAF1PSMD14MMP2
SCHEMBL9659884 0.91 NR1I2 (0.65) NR1I2PGRTDP1APEX1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4288435-A 3,7-Disubstituted-3-cephem-4-carboxylic acid compounds and pharmaceutical antibacterial compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-09-08 — — US claimed
US-4782158-A CEPHEM ANTIBIOTIC INTERMEDIATES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-01 — — US disclosed
US-4599426-A INTERMEDIATES FOR CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO. (JP) 1986-07-08 — — US disclosed
US-4506076-A MICROBIOCIDES, CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1985-03-19 — — US disclosed
EP-0059486-A1 New starting compounds for preparing cephem compounds and processes for their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-09-08 — — EP disclosed
US-4288435-A 3,7-Disubstituted-3-cephem-4-carboxylic acid compounds and pharmaceutical antibacterial compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-09-08 — — US disclosed
EP-0009548-A2 Cephalosporin derivatives, process for their preparation and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-04-16 — — EP disclosed
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