SCHEMBL11612477

SCHEMBL11612477

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 2/20 0.55
▸ PTGS1 P23219 1/20 0.49
▸ ALDH1A1 P00352 6/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ SLC15A2 Q16348 2/20 0.46
▸ BLM P54132 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ NR1I2 O75469 2/20 0.44

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
SCHEMBL11612480 1.00 CTDSP1 (0.55) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11587179 0.96 CTDSP1 (0.52) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11154341 0.94 CTDSP1 (0.49) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11154343 0.94 CTDSP1 (0.49) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL10795253 0.94 CTDSP1 (0.49) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11587448 0.93 CTDSP1 (0.56) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11587447 0.93 CTDSP1 (0.56) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11588487 0.92 CTDSP1 (0.55) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11588484 0.92 CTDSP1 (0.55) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL32670889 0.90 CTDSP1 (0.70) CTDSP1PTGS1HSD17B10MAPTTDP1

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