SCHEMBL11093019

SCHEMBL11093019

CCOC(=O)CCCCCCC(NCCC(O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
KDM4E B2RXH2 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
LMNA P02545 3/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPC1 O15118 1/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GAA P10253 1/20 0.38

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 0.87 KMT2A (0.44) L3MBTL1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL11094010 0.86 KMT2A (0.43) KDM4EL3MBTL1KMT2AALDH1A1CYP3A4
SCHEMBL11090280 0.85 KMT2A (0.43) L3MBTL1KMT2AALDH1A1CYP3A4CYP2D6
SCHEMBL11088418 0.85 CYP3A4 (0.47) KMT2AALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL11131374 0.85 MAPT (0.47) MAPTKDM4EL3MBTL1CRHBPCRHR2
SCHEMBL11390128 0.85 ALOX15 (0.47) KMT2AALDH1A1GAA
SCHEMBL11093116 0.85 ALDH1A1 (0.43) KMT2AALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL11082845 0.84 KMT2A (0.41) MAPTKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL11090241 0.80 KMT2A (0.44) MAPTKDM4EL3MBTL1KMT2AALDH1A1
SCHEMBL11092807 0.79 LTA4H (0.47) L3MBTL1LMNAALDH1A1

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-4486443-A PROSTAGLANDIN-LIKE EFFECTS BURROUGHS WELLCOME CO. (US) 1984-12-04 US disclosed
US-4262128-A HAVING PROSTAGLANDIN-LIKE BIOLOGICAL PROPERTIES BURROUGHS WELLCOME CO. (US) 1981-04-14 US disclosed