SCHEMBL11046992

SCHEMBL11046992

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(N)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 6/20 0.46
▸ PGR P06401 4/20 0.46
▸ TDP1 Q9NUW8 3/20 0.40
▸ APAF1 O14727 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ PLCG1 P19174 1/20 0.40
▸ ABCC2 Q92887 1/20 0.40
▸ SIRT5 Q9NXA8 1/20 0.40
▸ PSMD14 O00487 1/20 0.40
▸ MMP2 P08253 1/20 0.40
▸ PTGS2 P35354 1/20 0.38
▸ PPARG P37231 3/20 0.38
▸ SLC22A6 Q4U2R8 2/20 0.38
▸ SLC22A8 Q8TCC7 2/20 0.38
▸ SLC22A11 Q9NSA0 2/20 0.38
▸ DAO P14920 1/20 0.38
▸ SNCA P37840 1/20 0.38

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
Hydrochloric Acid SCHEMBL11048042 1.00 NR1I2 (0.46) NR1I2PGRTDP1APAF1L3MBTL1
SCHEMBL11048191 0.91 NR1I2 (0.37) NR1I2PGRTDP1APAF1L3MBTL1
SCHEMBL11007905 0.91 TDP1 (0.45) NR1I2PGRTDP1APAF1L3MBTL1
Hydrochloric Acid SCHEMBL10784730 0.90 NR1I2 (0.45) NR1I2PGRTDP1APAF1L3MBTL1
SCHEMBL10850677 0.89 NR1I2 (0.34) NR1I2PGRL3MBTL1
SCHEMBL11050438 0.87 NR1I2 (0.36) NR1I2PGRTDP1APAF1L3MBTL1
SCHEMBL11046012 0.86 NR1I2 (0.49) NR1I2PGRTDP1APAF1L3MBTL1
SCHEMBL11051810 0.86 NR1I2 (0.47) NR1I2PGRTDP1APAF1L3MBTL1
SCHEMBL11049353 0.86 NR1I2 (0.37) NR1I2PGRTDP1APAF1L3MBTL1
SCHEMBL11047190 0.85 NR1I2 (0.37) NR1I2PGRTDP1APAF1L3MBTL1

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-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
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