SCHEMBL11587448

SCHEMBL11587448

CC(C)(C)OC(=O)NC(C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(CO)CS[C@@H]12)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 2/20 0.56
▸ PTGS1 P23219 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.47
▸ HSD17B10 Q99714 5/20 0.47
▸ MAPT P10636 4/20 0.47
▸ TDP1 Q9NUW8 4/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ CYP3A4 P08684 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ SLC15A2 Q16348 2/20 0.47
▸ BLM P54132 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ HTR2B P41595 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ NR1I2 O75469 2/20 0.45

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
SCHEMBL11587447 1.00 CTDSP1 (0.56) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11063033 0.94 CTDSP1 (0.50) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11145017 0.94 CTDSP1 (0.50) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11145012 0.94 CTDSP1 (0.50) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11717538 0.94 PTGS1 (0.56) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11151431 0.94 PTGS1 (0.56) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11151435 0.94 PTGS1 (0.56) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11059568 0.94 PTGS1 (0.56) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11612480 0.93 CTDSP1 (0.55) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11588484 0.93 CTDSP1 (0.55) CTDSP1PTGS1ALDH1A1HSD17B10MAPT

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-4110534-A PROCESS FOR THE PREPARATION OF 3-VINYL AND SUBSTITUTED VINYL CEPHALOSPORINS GLAXO LABORATORIES LIMITED (GB) 1978-08-29 — — US disclosed
US-4107431-A ANTIBIOTICS GLAXO LABORATORIES LIMITED (GB) 1978-08-15 — — US disclosed
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