SCHEMBL6984542

SCHEMBL6984542

COc1ccc(CC(=O)CC2CCCCC2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
MEN1 O00255 1/20 0.65
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
EPHX2 P34913 1/20 0.50
DRD2 P14416 1/20 0.49
DRD4 P21917 1/20 0.49
CTSD P07339 2/20 0.48
PARP15 Q460N3 1/20 0.48
PARP10 Q53GL7 1/20 0.48
TSHR P16473 2/20 0.47
APLNR P35414 1/20 0.47
POLB P06746 3/20 0.45
ELANE P08246 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK1 P28482 1/20 0.44

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
SCHEMBL14243703 0.77 TSHR (0.56) KMT2AMEN1NPC1RAB9APARP15
SCHEMBL15682801 0.77 KMT2A (0.55) KMT2AMEN1APLNRPOLBALDH1A1
SCHEMBL29576414 0.76 KMT2A (0.53) KMT2AMEN1APLNRALDH1A1
SCHEMBL3015241 0.76 KMT2A (0.53) KMT2AMEN1APLNRALDH1A1
SCHEMBL31579936 0.74 APLNR (0.67) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL30261137 0.74 ALDH1A1 (0.59) KMT2AMEN1NPC1RAB9ATSHR
SCHEMBL30831943 0.74 HSD17B10 (0.75) KMT2AMEN1APLNRPOLBALDH1A1
SCHEMBL1097902 0.74 HSD17B10 (0.75) KMT2AMEN1APLNRPOLBALDH1A1
SCHEMBL29392677 0.74 CYP3A4 (0.62) KMT2AMEN1APLNRALDH1A1
SCHEMBL267732 0.74 CYP3A4 (0.62) KMT2AMEN1APLNRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed