SCHEMBL11094010

SCHEMBL11094010

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.39
ADRB3 P13945 2/20 0.38
PTGER2 P43116 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGER4 P35408 1/20 0.37
PTGER3 P43115 1/20 0.37
NAMPT P43490 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPY1R P25929 1/20 0.36

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 0.92 KMT2A (0.44) KMT2APOLBPTGER2L3MBTL1ALDH1A1
SCHEMBL11090280 0.90 KMT2A (0.43) KMT2APOLBPTGER2L3MBTL1ALDH1A1
SCHEMBL11088418 0.90 CYP3A4 (0.47) KMT2AALDH1A1NAMPTCYP3A4CYP2D6
SCHEMBL11390128 0.89 ALOX15 (0.47) KMT2APOLBPTGER2ALDH1A1PTGER4
SCHEMBL11093116 0.89 ALDH1A1 (0.43) KMT2AALDH1A1NAMPTCYP3A4CYP2D6
SCHEMBL11082845 0.88 KMT2A (0.41) KMT2APOLBPTGER2L3MBTL1ALDH1A1
SCHEMBL11093019 0.86 MAPT (0.48) KMT2AL3MBTL1ALDH1A1KDM4ECYP3A4
SCHEMBL11092807 0.85 LTA4H (0.47) L3MBTL1ALDH1A1
SCHEMBL11090241 0.84 KMT2A (0.44) KMT2APOLBPTGER2L3MBTL1ALDH1A1
SCHEMBL11092108 0.83 HSD17B3 (0.46) KMT2APOLBL3MBTL1ALDH1A1KDM4E

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