SCHEMBL4467676

SCHEMBL4467676

NCCCNC(=O)CCCOc1cc[c]cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
TAAR1 Q96RJ0 1/20 0.51
RECQL P46063 1/20 0.44
HTT P42858 1/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL7552633 0.84 SMN1; SMN2 (0.56) HPGDMEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL15903879 0.80 ALDH1A1 (0.47) HPGDMEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL7557779 0.80 CNR2 (0.57) HPGDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL7001422 0.79 CYP1A2 (0.54) HPGDMEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL15904267 0.79 HDAC1 (0.61) SMN1; SMN2
SCHEMBL15904029 0.78 RECQL (0.72) HPGDMEN1KMT2ASMN1; SMN2RECQL
SCHEMBL6993806 0.76 L3MBTL1 (0.43) L3MBTL1
SCHEMBL2182069 0.76 TAAR1 (0.46) TAAR1
SCHEMBL7552728 0.76 HPGD (0.46) HPGDMEN1KMT2ASMN1; SMN2TAAR1
SCHEMBL7559525 0.76 HPGD (0.46) HPGDMEN1KMT2ASMN1; SMN2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2629094-A1 Optical biosensors CARNEGIE MELLON UNIVERSITY (US) 2013-08-21 EP disclosed
EP-2111553-A2 OPTICAL BIOSENSORS Carnegie Mellon University (US) 2009-10-28 EP disclosed
WO-2008092041-A2 OPTICAL BIOSENSORS CARNEGIE MELLON UNIVERSITY (US) 2008-07-31 WO disclosed