SCHEMBL11588484

SCHEMBL11588484

CC(C)(C)OC(=O)NC(C(=O)N[C@@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(CCl)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 7/20 0.46
▸ HSD17B10 Q99714 5/20 0.46
▸ MAPT P10636 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ TDP1 Q9NUW8 4/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ HPGD P15428 3/20 0.46
▸ CYP3A4 P08684 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ SLC15A2 Q16348 2/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ NR1I2 O75469 2/20 0.46
▸ BLM P54132 1/20 0.46
▸ ADORA3 P0DMS8 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

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
SCHEMBL11588487 1.00 CTDSP1 (0.55) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11587447 0.93 CTDSP1 (0.56) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11587448 0.93 CTDSP1 (0.56) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11612477 0.92 CTDSP1 (0.55) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11612480 0.92 CTDSP1 (0.55) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL11665905 0.92 CTDSP1 (0.52) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL10795574 0.91 CTDSP1 (0.48) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL10795568 0.91 CTDSP1 (0.48) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL10548078 0.91 CTDSP1 (0.48) CTDSP1PTGS1ALDH1A1HSD17B10MAPT
SCHEMBL10548069 0.91 CTDSP1 (0.48) 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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