SCHEMBL11092807

SCHEMBL11092807

CCOC(=O)CCCCCCC(NCCC(O)c1ccc(OCc2ccccc2)cc1)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.47
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NR1H4 Q96RI1 1/20 0.42
ENPP2 Q13822 1/20 0.41
ALOX5 P09917 1/20 0.40

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
SCHEMBL11088418 0.88 CYP3A4 (0.47) LTA4HALDH1A1SMN1; SMN2
SCHEMBL11093116 0.87 ALDH1A1 (0.43) LTA4HALDH1A1SMN1; SMN2
SCHEMBL11090169 0.86 EGFR (0.48) LTA4HLMNAL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL11390128 0.85 ALOX15 (0.47) ALDH1A1SMN1; SMN2
SCHEMBL11094010 0.85 KMT2A (0.43) L3MBTL1ALDH1A1
SCHEMBL11095919 0.84 KMT2A (0.44) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL11090280 0.82 KMT2A (0.43) L3MBTL1ALDH1A1
SCHEMBL21879787 0.81 LMNA (0.54) LTA4HLMNAL3MBTL1ALDH1A1NR1H4
SCHEMBL11082845 0.81 KMT2A (0.41) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL11094819 0.80 ALDH1A1 (0.44) LTA4HALDH1A1ALOX5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4486443-A PROSTAGLANDIN-LIKE EFFECTS BURROUGHS WELLCOME CO. (US) 1984-12-04 US disclosed
EP-0001238-B1 HYDANTOIN DERIVATIVES, THEIR SYNTHESIS, PHARMACEUTICAL FORMULATIONS AND INTERMEDIATES IN THEIR PREPARATION THE WELLCOME FOUNDATION LIMITED (GB) 1984-07-04 EP disclosed
US-4262128-A HAVING PROSTAGLANDIN-LIKE BIOLOGICAL PROPERTIES BURROUGHS WELLCOME CO. (US) 1981-04-14 US disclosed