SCHEMBL11708456

SCHEMBL11708456

CC(C)(C)OC(=O)C=CC1=C(C(=O)OC(C)(C)C)N2C(=O)C(NC(=O)C(C(=O)OC(C)(C)C)c3ccccc3)[C@@H]2SC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTDSP1 Q9GZU7 2/20 0.49
▸ ALDH1A1 P00352 8/20 0.45
▸ MAPT P10636 6/20 0.45
▸ HSD17B10 Q99714 6/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ TDP1 Q9NUW8 4/20 0.45
▸ CYP3A4 P08684 3/20 0.45
▸ HPGD P15428 3/20 0.45
▸ SLC15A2 Q16348 3/20 0.45
▸ BLM P54132 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ADRA1A P35348 1/20 0.45
▸ HTR2B P41595 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ DRD3 P35462 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ PTGS1 P23219 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.43

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
SCHEMBL11672187 0.94 CTDSP1 (0.47) CTDSP1ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL11587280 0.89 MAPT (0.51) CTDSP1ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL11587284 0.89 MAPT (0.51) CTDSP1ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL11709203 0.87 CTDSP1 (0.46) CTDSP1ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL11673440 0.85 ALDH1A1 (0.58) CTDSP1ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL11673443 0.85 ALDH1A1 (0.58) CTDSP1ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL11709089 0.83 CTDSP1 (0.47) CTDSP1ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL11585160 0.81 MAPT (0.54) CTDSP1ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL11585155 0.81 MAPT (0.54) CTDSP1ALDH1A1MAPTHSD17B10KMT2A
SCHEMBL11708422 0.81 CTDSP1 (0.53) CTDSP1ALDH1A1MAPTTDP1MAPK1

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-4065620-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-27 — — US disclosed
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