SCHEMBL7625317

SCHEMBL7625317

CC[C](C)OOC(=O)c1ccc(OC(C)C)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
MAPT P10636 7/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PARP10 Q53GL7 1/20 0.51
POLB P06746 1/20 0.49
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
GLA P06280 1/20 0.44
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
LMNA P02545 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MCL1 Q07820 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
HTT P42858 2/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL31343186 0.87 KMT2A (0.68) KMT2AMAPTNPSR1PARP10POLB
SCHEMBL7630592 0.85 KMT2A (0.50) KMT2AMAPTNPSR1PARP10POLB
SCHEMBL7628557 0.83 KMT2A (0.59) KMT2AMAPTNPSR1PARP10POLB
SCHEMBL7633916 0.83 KMT2A (0.45) KMT2AMAPTNPSR1PARP10POLB
SCHEMBL7625811 0.82 CA1 (0.56) KMT2AMAPTPARP10ALDH1A1TP53
SCHEMBL7632442 0.81 KMT2A (0.56) KMT2AMAPTNPSR1PARP10ALDH1A1
SCHEMBL7629320 0.81 USP5 (0.44) KMT2AMAPTPOLBALDH1A1LMNA
SCHEMBL7628561 0.79 KMT2A (0.58) KMT2AMAPTNPSR1PARP10POLB
SCHEMBL7635273 0.78 ALDH1A1 (0.52) KMT2AMAPTPOLBALDH1A1LMNA
SCHEMBL7628268 0.78 TDP1 (0.52) KMT2AMAPTNPSR1ALDH1A1LMNA

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
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed