SCHEMBL2448223

SCHEMBL2448223

CCCCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(OCCCCCCCCCCCC)c(OCCCCCCCCCCCC)c3OCCCCCCCCCCCC)cn2)cc1OCCCCCCCCCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 7/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
STAT3 P40763 1/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
PTPN1 P18031 1/20 0.37
PTPN6 P29350 1/20 0.37
SMPD1 P17405 3/20 0.37
ESR1 P03372 2/20 0.37
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL2454193 0.86 KDM4E (0.45) PTPN11KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL2448597 0.86 KDM4E (0.49) PTPN11KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL2447002 0.79 L3MBTL1 (0.48) PTPN11KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL14983295 0.79 KDM4E (0.43) PTPN11KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL14983291 0.79 KDM4E (0.43) PTPN11KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL502920 0.75 KDM4E (0.47) PTPN11KDM4EALDH1A1HPGDL3MBTL1
SCHEMBL2856448 0.75 PTPN11 (0.55) PTPN11ALDH1A1HPGDPTPN1PTPN6
SCHEMBL1776071 0.75 PTPN11 (0.55) PTPN11ALDH1A1HPGDPTPN1PTPN6
SCHEMBL13957128 0.75 PTPN11 (0.55) PTPN11ALDH1A1HPGDPTPN1PTPN6
SCHEMBL28319408 0.75 PTPN11 (0.55) PTPN11ALDH1A1HPGDPTPN1PTPN6

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
US-20130137869-A1 LUMINOPHORES UNIVERSITY OF YORK (UK) 2013-05-30 US disclosed
EP-2547748-A1 LUMINOPHORES University of York (GB) 2013-01-23 EP disclosed
WO-2011114095-A1 LUMINOPHORES UNIVERSITY OF YORK (GB) 2011-09-22 WO disclosed