SCHEMBL4565165

SCHEMBL4565165

Cc1ccc(O)c(CN(CCN(CCN(CC(=O)O)Cc2nc(C)ccc2O)CC(=O)O)CC(=O)O)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 3/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 3/20 0.40
GFER P55789 1/20 0.40
LMNA P02545 1/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
DRD1 P21728 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
CYP2C19 P33261 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40
BLM P54132 1/20 0.40
PMP22 Q01453 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
SCHEMBL19764228 0.72 ALDH1A1 (0.53) KDM4EALDH1A1HPGDUSP2HSD17B10
Emoxypine SCHEMBL30182715 0.71 KDM4E (0.56) KDM4EALDH1A1HPGDUSP2HSD17B10
Emoxypine SCHEMBL1010987 0.71 KDM4E (0.56) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL545256 0.71 HTT (0.48) KDM4EALDH1A1HPGDTDP1LMNA
SCHEMBL13875690 0.71 KDM4E (0.47) KDM4EALDH1A1HPGDUSP2HSD17B10
SCHEMBL23629772 0.70 HTT (0.47) KDM4EALDH1A1HPGDTDP1LMNA
SCHEMBL935095 0.70 HTT (0.47) KDM4EALDH1A1HPGDTDP1LMNA
Hydrochloric Acid SCHEMBL934885 0.70 HTT (0.47) KDM4EALDH1A1HPGDTDP1LMNA
SCHEMBL935126 0.70 HTT (0.47) KDM4EALDH1A1HPGDTDP1LMNA
SCHEMBL17935432 0.69 KDM4E (0.53) KDM4EALDH1A1HPGDUSP2HSD17B10

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
US-20090202816-A1 STABILIZED SILICA COLLOID FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2009-08-13 US claimed
WO-2007146680-A1 STABILIZED SILICA COLLOID FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION , INC. (US) 2007-12-21 WO claimed