SCHEMBL9792197

SCHEMBL9792197

O=C(O)C1=C(CCl)CS[C@H]2C(NC(=O)C(=NOC(C(=O)OC(c3ccccc3)c3ccccc3)c3ccccc3)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)C(=O)N12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I2 O75469 5/20 0.47
▸ PPARG P37231 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ SLC22A6 Q4U2R8 2/20 0.47
▸ SLC22A8 Q8TCC7 2/20 0.47
▸ SLC22A11 Q9NSA0 2/20 0.47
▸ ALB P02768 1/20 0.47
▸ HTR2C P28335 1/20 0.47
▸ KMT2A Q03164 1/20 0.44
▸ PGR P06401 3/20 0.42
▸ TDP1 Q9NUW8 6/20 0.42
▸ APEX1 P27695 3/20 0.42
▸ L3MBTL1 Q9Y468 3/20 0.42
▸ APAF1 O14727 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ PLCG1 P19174 1/20 0.42
▸ ABCC2 Q92887 1/20 0.42
▸ SIRT5 Q9NXA8 1/20 0.42
▸ PSMD14 O00487 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
SCHEMBL9792192 1.00 NR1I2 (0.47) NR1I2PPARGMAPTSLC22A6SLC22A8
SCHEMBL9735345 0.96 PTGS1 (0.43) NR1I2PPARGMAPTSLC22A6SLC22A8
SCHEMBL9735351 0.96 PTGS1 (0.43) NR1I2PPARGMAPTSLC22A6SLC22A8
SCHEMBL9360311 0.96 PTGS1 (0.43) NR1I2PPARGMAPTSLC22A6SLC22A8
SCHEMBL9360317 0.96 PTGS1 (0.43) NR1I2PPARGMAPTSLC22A6SLC22A8
SCHEMBL9361222 0.90 PTGS1 (0.43) NR1I2PPARGMAPTSLC22A6SLC22A8
SCHEMBL9361214 0.90 PTGS1 (0.43) NR1I2PPARGMAPTSLC22A6SLC22A8
SCHEMBL9360368 0.89 NR1I2 (0.43) NR1I2PPARGMAPTSLC22A6SLC22A8
SCHEMBL9360350 0.89 NR1I2 (0.43) NR1I2PPARGMAPTSLC22A6SLC22A8
SCHEMBL9600004 0.89 NR1I2 (0.51) NR1I2PPARGMAPTSLC22A6SLC22A8

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-4988687-A Thiazoleoxyimineacetamido carboxymethylpyridinium derivatives of cephalosporins BANYU PHARMACEUTICAL COMPANY, LTD. (JP) 1991-01-29 — — US disclosed
US-4880797-A THIAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1989-11-14 — — US disclosed
EP-0238061-A2 Cephalosporin derivatives, processes for their preparation and antibacterial agents Banyu Pharmaceutical Co., Ltd. (JP) 1987-09-23 — — EP disclosed
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