SCHEMBL3916643

SCHEMBL3916643

CCCCCCCCCCCCCC(CC)OC(=O)c1cnccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
PRKCA P17252 1/20 0.44
PRKCD Q05655 1/20 0.44
MAPT P10636 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
RAB9A P51151 5/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
LONP1 P36776 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
POLB P06746 3/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL28377616 0.93 KDM4E (0.52) KDM4EPRKCAPRKCDMAPTTDP1
SCHEMBL28405103 0.93 KDM4E (0.52) KDM4EPRKCAPRKCDMAPTTDP1
SCHEMBL29041471 0.92 KDM4E (0.51) KDM4EMAPTTDP1RAB9AMEN1
SCHEMBL29134586 0.86 LONP1 (0.47) KDM4EPRKCAPRKCDMAPTTDP1
SCHEMBL15012395 0.85 KDM4E (0.52) KDM4EMAPTTDP1RAB9AMEN1
SCHEMBL15012254 0.85 KDM4E (0.52) KDM4EMAPTTDP1RAB9AMEN1
SCHEMBL15012403 0.85 KDM4E (0.52) KDM4EMAPTTDP1RAB9AMEN1
SCHEMBL15012872 0.85 KDM4E (0.52) KDM4EMAPTTDP1RAB9AMEN1
SCHEMBL3914664 0.85 KDM4E (0.52) KDM4EMAPTTDP1RAB9AMEN1
SCHEMBL15012756 0.85 KDM4E (0.52) KDM4EMAPTTDP1RAB9AMEN1

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-2034962-A2 VESICULAR FORMULATIONS CONTAINING ORGANIC ACID PRODRUGS AND PROCESS FOR THEIR PREPARATION. Universidade de Lisboa (PT) 2009-03-18 EP disclosed
WO-2007142548-A2 VESICULAR FORMULATIONS CONTAINING ORGANIC ACID PRODRUGS, PROCESS FOR THEIR PREPARATION UNIVERSIDADE DE LISBOA (PT) 2007-12-13 WO disclosed