SCHEMBL6444618

SCHEMBL6444618

CCC1(CC)OCCN1CCO

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL27238385 0.83 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL526927 0.78 KDM4E (0.31) KDM4EALDH1A1MEN1LMNATP53
SCHEMBL11213405 0.76
SCHEMBL309917 0.75 KDM4E (0.34) KDM4EALDH1A1MEN1LMNATP53
SCHEMBL11159106 0.74
SCHEMBL27238382 0.72 KDM4E (0.32) KDM4EALDH1A1MEN1LMNATP53
SCHEMBL28014578 0.72
SCHEMBL29565125 0.71 KDM4E (0.34) KDM4EALDH1A1
SCHEMBL29459707 0.68 KDM4E (0.37) KDM4EALDH1A1
SCHEMBL8968139 0.67

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-1537158-B1 RADIATION CURED POLYURETHANES WITH CAPPED AMINO GROUPS BASF SE (DE) 2013-04-24 EP disclosed
US-20050244652-A1 Radiation curable polyurethanes with capped amino groups BASF AKTIENGESELLSCHAFT (DE) 2005-11-03 US disclosed