SCHEMBL10995455

SCHEMBL10995455

C/C=C(\C(=O)NC1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@@H]12)c1csc(N)n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.76
▸ NR1I2 O75469 6/20 0.76
▸ SLC22A6 Q4U2R8 2/20 0.76
▸ SLC22A8 Q8TCC7 2/20 0.76
▸ SLC22A11 Q9NSA0 2/20 0.76
▸ ALB P02768 1/20 0.76
▸ PPARG P37231 1/20 0.76
▸ TDP1 Q9NUW8 8/20 0.65
▸ APEX1 P27695 3/20 0.65
▸ L3MBTL1 Q9Y468 3/20 0.65
▸ LMNA P02545 2/20 0.65
▸ ABCC4 O15439 2/20 0.65
▸ CYP1A2 P05177 1/20 0.65
▸ PKM P14618 1/20 0.65
▸ HSD17B10 Q99714 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ POLB P06746 1/20 0.65
▸ RECQL P46063 1/20 0.65
▸ NPSR1 Q6W5P4 1/20 0.65
▸ HTR2C P28335 1/20 0.65

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
SCHEMBL10995438 1.00 MAPT (0.76) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10920988 0.94 MAPT (0.74) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10920191 0.94 MAPT (0.74) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10920264 0.93 MAPT (0.73) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10472778 0.92 MAPT (0.72) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10472780 0.92 MAPT (0.72) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10667014 0.92 MAPT (0.71) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL10667006 0.92 MAPT (0.71) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL8973257 0.91 MAPT (0.80) MAPTNR1I2SLC22A6SLC22A8SLC22A11
SCHEMBL8973246 0.91 MAPT (0.80) MAPTNR1I2SLC22A6SLC22A8SLC22A11

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-4500716-A Intermediate products for the preparation of Z-cephalosporins BAYER AKTIENGESELLSCHAFT (DE) 1985-02-19 — — US disclosed
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