SCHEMBL11090241

SCHEMBL11090241

CCOC(=O)CCCCCCC(NCCC(O)c1ccoc1)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.35
NAMPT P43490 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
FAAH O00519 2/20 0.33
PPARG P37231 1/20 0.33
PTGER2 P43116 1/20 0.32
MAPT P10636 1/20 0.32
TBXAS1 P24557 1/20 0.32

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
SCHEMBL11095919 0.85 KMT2A (0.44) KMT2APOLBL3MBTL1ALDH1A1NAMPT
SCHEMBL11088418 0.85 CYP3A4 (0.47) KMT2AALDH1A1NAMPTCYP3A4CYP2D6
SCHEMBL11094010 0.84 KMT2A (0.43) KMT2APOLBL3MBTL1ALDH1A1NAMPT
SCHEMBL11090280 0.83 KMT2A (0.43) KMT2APOLBL3MBTL1ALDH1A1NAMPT
SCHEMBL11390128 0.82 ALOX15 (0.47) KMT2APOLBALDH1A1PTGER2TBXAS1
SCHEMBL11093116 0.82 ALDH1A1 (0.43) KMT2AALDH1A1NAMPTCYP3A4CYP2D6
SCHEMBL11092092 0.82 KMT2A (0.42) KMT2APOLBL3MBTL1ALDH1A1NAMPT
SCHEMBL11092734 0.82 KMT2A (0.44) KMT2APOLBL3MBTL1ALDH1A1NAMPT
SCHEMBL11082845 0.81 KMT2A (0.41) KMT2APOLBL3MBTL1ALDH1A1NAMPT
SCHEMBL11093019 0.80 MAPT (0.48) KMT2AL3MBTL1ALDH1A1CYP3A4CYP2D6

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 4 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
EP-0001238-A1 Hydantoin derivatives, their synthesis, pharmaceutical formulations and intermediates in their preparation THE WELLCOME FOUNDATION LIMITED (GB) 1979-04-04 EP disclosed