SCHEMBL6653763

SCHEMBL6653763

Cc1ccc(COC(=O)c2ccc(C(=O)OCc3ccc(C)cc3)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.71
MEN1 O00255 3/20 0.71
MAPT P10636 6/20 0.64
TDP1 Q9NUW8 2/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A3 Q01959 1/20 0.60
LMNA P02545 1/20 0.59
ALDH1A1 P00352 4/20 0.59
NPC1 O15118 4/20 0.59
RAB9A P51151 3/20 0.59
HPGD P15428 3/20 0.58
KDM4E B2RXH2 3/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
HSD17B10 Q99714 1/20 0.58
MMP2 P08253 2/20 0.55
MMP12 P39900 2/20 0.55
MMP1 P03956 1/20 0.55

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
SCHEMBL13932521 1.00 KMT2A (0.71) KMT2AMEN1MAPTTDP1SLC6A2
SCHEMBL830366 0.94 KMT2A (0.82) KMT2AMEN1MAPTTDP1SLC6A2
SCHEMBL20622793 0.91 KMT2A (0.61) KMT2AMEN1MAPTTDP1SLC6A2
SCHEMBL31538461 0.91 KMT2A (0.61) KMT2AMEN1MAPTTDP1SLC6A2
SCHEMBL14404822 0.91 MAPT (0.67) KMT2AMEN1MAPTTDP1SLC6A2
SCHEMBL2354687 0.91 KMT2A (0.76) KMT2AMEN1MAPTTDP1SLC6A2
SCHEMBL6057219 0.91 KMT2A (0.76) KMT2AMEN1MAPTTDP1SLC6A2
SCHEMBL13098589 0.90 KMT2A (0.58) KMT2AMEN1MAPTTDP1SLC6A2
SCHEMBL16704815 0.90 MAPT (0.60) KMT2AMEN1MAPTTDP1LMNA
SCHEMBL3885571 0.90 KMT2A (0.74) KMT2AMEN1MAPTTDP1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1592729-A Process for preparing pentacene derivatives 3M INNOVATIVE PROPERTIES CO (US) 2005-03-09 CN disclosed
CN-1582506-A Substituted pentacene semiconductors 3M INNOVATIVE PROPERTIES CO (US) 2005-02-16 CN disclosed
EP-1433211-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M Innovative Properties Company (US) 2004-06-30 EP disclosed
EP-1430008-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M Innovative Properties Company (US) 2004-06-23 EP disclosed
WO-2003028125-A2 SUBSTITUTED PENTACENE SEMICONDUCTORS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO disclosed
WO-2003027050-A2 PROCESS FOR PREPARING PENTACENE DERIVATIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-04-03 WO disclosed