SCHEMBL7862774

SCHEMBL7862774

COC(=O)CCNCCN(CCC(=O)OC)CCN(CCNCCC(=O)OC)CCC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TSHR P16473 4/20 0.44
CA12 O43570 4/20 0.42
CA14 Q9ULX7 4/20 0.42
LTA4H P09960 1/20 0.37
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.34
KDM5A P29375 2/20 0.34
CA2 P00918 1/20 0.34
TOP2A P11388 1/20 0.34
HSD17B10 Q99714 2/20 0.33
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 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
SCHEMBL12847506 1.00 KMT2A (0.48) KMT2AMEN1TSHRCA12CA14
SCHEMBL12847507 0.98 KMT2A (0.47) KMT2AMEN1TSHRCA12CA14
SCHEMBL12847692 0.98 KMT2A (0.50) KMT2AMEN1TSHRCA12CA14
SCHEMBL12791479 0.98 KMT2A (0.50) KMT2AMEN1TSHRCA12CA14
SCHEMBL12847852 0.96 KMT2A (0.48) KMT2AMEN1TSHRCA12CA14
SCHEMBL12791566 0.96 KMT2A (0.52) KMT2AMEN1TSHRCA12CA14
SCHEMBL15781699 0.93 MEN1 (0.43) KMT2AMEN1TSHRCA12CA14
SCHEMBL17705396 0.93 MEN1 (0.43) KMT2AMEN1TSHRCA12CA14
SCHEMBL15781758 0.93 MEN1 (0.43) KMT2AMEN1TSHRCA12CA14
SCHEMBL16638634 0.93 MEN1 (0.43) KMT2AMEN1TSHRCA12CA14

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
EP-0729938-B1 A method for producing aryl alkyl hydroperoxides MITSUI CHEMICALS INC (JP) 2001-09-05 EP disclosed
US-5945572-A Method for producing aryl alkyl hydroperoxides MITSUI CHEMICALS, INC. (JP) 1999-08-31 US disclosed
US-5847227-A Method for producing aryl alkyl hydroperoxides MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1998-12-08 US disclosed
EP-0729938-A2 A method for producing aryl alkyl hydroperoxides MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1996-09-04 EP disclosed