SCHEMBL11048191

SCHEMBL11048191

CC(C)(C)OC(=O)CON=C(C(=O)NC1C(=O)N2CC(CSc3nnnn3CCNC(=O)OC(C)(C)C)(C(=O)O)CS[C@H]12)c1csc(NC=O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 2/20 0.37
▸ PGR P06401 2/20 0.37
▸ TDP1 Q9NUW8 2/20 0.33
▸ APAF1 O14727 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ PLCG1 P19174 1/20 0.33
▸ ABCC2 Q92887 1/20 0.33
▸ SIRT5 Q9NXA8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PSMD14 O00487 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ DAO P14920 1/20 0.30
▸ PPARG P37231 1/20 0.30
▸ SNCA P37840 1/20 0.30
▸ CYP2J2 P51589 1/20 0.30
▸ SLC22A6 Q4U2R8 1/20 0.30
▸ SLC22A8 Q8TCC7 1/20 0.30
▸ SLC22A11 Q9NSA0 1/20 0.30

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
SCHEMBL11050438 0.96 NR1I2 (0.36) NR1I2PGRTDP1APAF1LMNA
SCHEMBL11049353 0.95 NR1I2 (0.37) NR1I2PGRTDP1APAF1LMNA
SCHEMBL11047190 0.94 NR1I2 (0.37) NR1I2PGRTDP1APAF1LMNA
SCHEMBL11045976 0.94 NR1I2 (0.36) NR1I2PGRTDP1APAF1LMNA
SCHEMBL11049934 0.93 NR1I2 (0.36) NR1I2PGRTDP1APAF1LMNA
SCHEMBL11046969 0.93 NR1I2 (0.37) NR1I2PGRTDP1APAF1LMNA
SCHEMBL11010310 0.92 NR1I2 (0.37) NR1I2PGRTDP1APAF1LMNA
SCHEMBL11008934 0.92 NR1I2 (0.44) NR1I2PGRTDP1APAF1LMNA
SCHEMBL11046992 0.91 NR1I2 (0.46) NR1I2PGRTDP1APAF1LMNA
Hydrochloric Acid SCHEMBL11048042 0.91 NR1I2 (0.46) NR1I2PGRTDP1APAF1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4487767-A BACTERIOSTATS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-12-11 — — US disclosed
US-4366153-A CEPHALOSPORINS; ANTIBIOTICS; BACTERICIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-12-28 — — US disclosed
US-4341775-A CEPHALOSPORINS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-07-27 — — US disclosed
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