SCHEMBL7628019

SCHEMBL7628019

CC(C)Oc1ccc(C(=O)OOC(=O)OCCC(COC(=O)OOC(=O)c2ccc(OC(C)C)cc2)C(COC(=O)OOC(=O)c2ccc(OC(C)C)cc2)C(COC(=O)OOC(=O)c2ccc(OC(C)C)cc2)C(CCOC(=O)OOC(=O)c2ccc(OC(C)C)cc2)COC(=O)OOC(=O)c2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
PARP10 Q53GL7 1/20 0.40
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 3/20 0.37
TP53 P04637 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 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
SCHEMBL7630439 0.98 KMT2A (0.41) KMT2APARP10MAPTNPSR1ALDH1A1
SCHEMBL7629548 0.94 KMT2A (0.44) KMT2APARP10MAPTNPSR1ALDH1A1
SCHEMBL7626076 0.88 CA1 (0.42) KMT2AMAPTALDH1A1HTTLMNA
SCHEMBL7625074 0.86 ALDH1A1 (0.44) KMT2APARP10MAPTNPSR1ALDH1A1
SCHEMBL7634279 0.85 MEN1 (0.39) KMT2AMAPTALDH1A1HPGDLMNA
SCHEMBL7625638 0.85 CA1 (0.42) KMT2AMAPTALDH1A1HTTLMNA
SCHEMBL7634823 0.85 ADRB2 (0.39) KMT2AMAPTALDH1A1PKMMAPK1
SCHEMBL7631161 0.85 TSHR (0.43) KMT2AMAPTALDH1A1TP53THRB
SCHEMBL7627390 0.84 ALDH1A1 (0.37) KMT2AMAPTALDH1A1LMNATSHR
SCHEMBL7628832 0.83 ALDH1A1 (0.44) KMT2APARP10MAPTNPSR1ALDH1A1

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