SCHEMBL11089622

SCHEMBL11089622

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

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 6/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
NAMPT P43490 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
HSD17B10 Q99714 2/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL11092108 0.92 HSD17B3 (0.46) KMT2AALDH1A1MAPTHPGDPOLB
SCHEMBL11401302 0.91 KMT2A (0.47) KMT2AALDH1A1MAPTHPGDPOLB
SCHEMBL11091798 0.91 ALDH1A1 (0.46) KMT2AALDH1A1MAPTHPGDTDP1
SCHEMBL11394852 0.90 HDAC1 (0.45) KMT2AALDH1A1MAPTHPGDPOLB
SCHEMBL11088734 0.89 KMT2A (0.42) KMT2AALDH1A1MAPTHPGDPOLB
SCHEMBL11131374 0.87 MAPT (0.47) KMT2AALDH1A1MAPTHPGDPOLB
SCHEMBL11092734 0.84 KMT2A (0.44) KMT2AALDH1A1MAPTHPGDPOLB
SCHEMBL11090169 0.84 EGFR (0.48) ALDH1A1MAPTL3MBTL1CYP1A2CYP3A4
SCHEMBL11609561 0.84 KMT2A (0.57) KMT2AALDH1A1MAPTPOLBTDP1
SCHEMBL11095919 0.83 KMT2A (0.44) KMT2AALDH1A1POLBL3MBTL1NAMPT

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