SCHEMBL8013953

SCHEMBL8013953

CC(C)(C)OC(=O)CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C([C@H]3CCCO3)CS[C@H]12)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.45
▸ APAF1 O14727 2/20 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
▸ PSMD14 O00487 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ NR1I2 O75469 6/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ PPARG P37231 3/20 0.41
▸ SLC22A6 Q4U2R8 2/20 0.41
▸ SLC22A8 Q8TCC7 2/20 0.41
▸ SLC22A11 Q9NSA0 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ ALB P02768 1/20 0.41
▸ KMT2A Q03164 1/20 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
SCHEMBL10362944 0.91 TDP1 (0.48) TDP1APAF1APEX1LMNATSHR
SCHEMBL8557032 0.91 TDP1 (0.45) TDP1APAF1APEX1LMNATSHR
SCHEMBL8017838 0.90 NR1I2 (0.51) TDP1APEX1LMNATSHRL3MBTL1
SCHEMBL8017831 0.90 NR1I2 (0.51) TDP1APEX1LMNATSHRL3MBTL1
SCHEMBL8012721 0.88 NR1I2 (0.51) TDP1APEX1LMNATSHRL3MBTL1
SCHEMBL8013445 0.88 NR1I2 (0.43) TDP1APAF1APEX1LMNATSHR
SCHEMBL8013449 0.88 NR1I2 (0.43) TDP1APAF1APEX1LMNATSHR
SCHEMBL10993022 0.86 NR1I2 (0.51) TDP1APAF1APEX1LMNATSHR
SCHEMBL10993033 0.86 NR1I2 (0.51) TDP1APAF1APEX1LMNATSHR
SCHEMBL9413830 0.86 NR1I2 (0.51) TDP1APAF1APEX1LMNATSHR

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-6077952-A Cephaloporins and homologues PFIZER INC. (US) 2000-06-20 — — US disclosed
US-6020329-A Cephaloporins and homologues, preparations and pharmaceutical compositions PZIFER INC. (US) 2000-02-01 — — US disclosed
WO-1992001696-A1 CEPHALOSPORINS AND HOMOLOGUES, PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1992-02-06 — — WO disclosed
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