SCHEMBL10741834

SCHEMBL10741834

CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@@H](NC(=O)/C(=N\OCC(=O)OC(C)(C)C)c3csc(NC(c4ccccc4)(c4ccccc4)c4ccccc4)n3)[C@H]2SC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 1/20 0.56
▸ MAPT P10636 3/20 0.55
▸ NR1I2 O75469 3/20 0.55
▸ PPARG P37231 2/20 0.55
▸ ALB P02768 1/20 0.55
▸ SLC22A6 Q4U2R8 1/20 0.55
▸ SLC22A8 Q8TCC7 1/20 0.55
▸ SLC22A11 Q9NSA0 1/20 0.55
▸ TDP1 Q9NUW8 7/20 0.52
▸ APEX1 P27695 3/20 0.52
▸ HSD17B10 Q99714 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ PKM P14618 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ ABCC4 O15439 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL9813268 0.93 CTDSP1 (0.56) CTDSP1MAPTNR1I2PPARGALB
SCHEMBL11137242 0.93 NR1I2 (0.64) CTDSP1MAPTNR1I2PPARGALB
SCHEMBL11096971 0.91 MAPT (0.56) CTDSP1MAPTNR1I2PPARGALB
SCHEMBL11094997 0.91 MAPT (0.56) CTDSP1MAPTNR1I2PPARGALB
SCHEMBL10836442 0.88 CTDSP1 (0.53) CTDSP1MAPTNR1I2PPARGALB
SCHEMBL10993022 0.88 NR1I2 (0.51) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL10993033 0.88 NR1I2 (0.51) MAPTNR1I2PPARGALBSLC22A6
SCHEMBL11041146 0.88 NR1I2 (0.67) CTDSP1MAPTNR1I2PPARGALB
SCHEMBL11041144 0.88 NR1I2 (0.67) CTDSP1MAPTNR1I2PPARGALB
SCHEMBL10633560 0.88 CTDSP1 (0.52) CTDSP1MAPTNR1I2PPARGALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4647556-A Cephalosporin derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1987-03-03 — — US disclosed
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