SCHEMBL7305196

SCHEMBL7305196

CCCCCCCC(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[C@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.46
SYK P43405 1/20 0.42
CETP P11597 3/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.39

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
SCHEMBL9326555 0.82 CTSS (0.44) SYKALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL20943365 0.77 MBOAT4 (0.46) MBOAT4CETPALDH1A1CYP3A4TSHR
SCHEMBL20943336 0.77 MBOAT4 (0.46) MBOAT4CETPALDH1A1CYP3A4TSHR
SCHEMBL20943384 0.77 MBOAT4 (0.46) MBOAT4SYKCETPALDH1A1CYP3A4
SCHEMBL20960158 0.77 MBOAT4 (0.46) MBOAT4SYKCETPALDH1A1CYP3A4
SCHEMBL17381294 0.77 MBOAT4 (0.46) MBOAT4CETPALDH1A1CYP3A4TSHR
SCHEMBL29414961 0.76 CETP (0.51) MBOAT4CETPALDH1A1CYP3A4TSHR
SCHEMBL16419678 0.76 ALDH1A1 (0.48) MBOAT4SYKCETPALDH1A1CYP3A4
SCHEMBL16412141 0.75 MBOAT4 (0.45) MBOAT4CETPALDH1A1CYP3A4TSHR
SCHEMBL27229092 0.75 MBOAT4 (0.42) MBOAT4SYKCETPALDH1A1CYP3A4

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
EP-0575844-B1 Hydroxamic acid derivatives and pharmaceutical compositions thereof HOFFMANN LA ROCHE (CH) 1998-01-21 EP disclosed
EP-0575844-A2 Hydroxamic acid derivatives and pharmaceutical compositions thereof F. HOFFMANN-LA ROCHE AG (CH) 1993-12-29 EP disclosed