SCHEMBL11401302

SCHEMBL11401302

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.47
MEN1 O00255 4/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.44
MAPT P10636 4/20 0.44
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
MAPK1 P28482 1/20 0.41
CXCR3 P49682 1/20 0.41
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
CCKBR P32239 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 1/20 0.39
HSP90AA1 P07900 1/20 0.39
GLO1 Q04760 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
SCHEMBL11089622 0.91 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPTHPGD
SCHEMBL11092108 0.90 HSD17B3 (0.46) KMT2AALDH1A1MAPTHPGDL3MBTL1
SCHEMBL11091798 0.89 ALDH1A1 (0.46) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL11394852 0.88 HDAC1 (0.45) KMT2AMEN1LMNAALDH1A1MAPT
SCHEMBL11088734 0.87 KMT2A (0.42) KMT2ALMNAALDH1A1MAPTHPGD
SCHEMBL11131374 0.85 MAPT (0.47) KMT2ALMNAALDH1A1MAPTHPGD
SCHEMBL11090280 0.83 KMT2A (0.43) KMT2AALDH1A1L3MBTL1CCKBRPOLB
SCHEMBL11092734 0.83 KMT2A (0.44) KMT2AALDH1A1MAPTHPGDL3MBTL1
SCHEMBL11090169 0.82 EGFR (0.48) LMNAALDH1A1MAPTL3MBTL1MAPK1
SCHEMBL7460876 0.82 KMT2A (0.53) KMT2AMEN1LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4262128-A HAVING PROSTAGLANDIN-LIKE BIOLOGICAL PROPERTIES BURROUGHS WELLCOME CO. (US) 1981-04-14 US disclosed