SCHEMBL269178

SCHEMBL269178

O=C(CC(=O)ON1C(=O)C=CC1=O)ON1C(=O)C=CC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
BLM P54132 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
WRN Q14191 1/20 0.41
HIF1A Q16665 1/20 0.41
GSK3A P49840 2/20 0.39
GSK3B P49841 2/20 0.39
MGLL Q99685 6/20 0.32
NPSR1 Q6W5P4 3/20 0.32
FAAH O00519 3/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
GMNN O75496 1/20 0.32
THPO P40225 1/20 0.32
PMP22 Q01453 1/20 0.32
PTGS1 P23219 5/20 0.31
PTGS2 P35354 5/20 0.31
HSP90AA1 P07900 2/20 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
SCHEMBL31121818 0.89 ALDH1A1 (0.37) ALDH1A1HPGDBLMCYP1A2CYP2C19
SCHEMBL2581743 0.86 ALDH1A1 (0.41) ALDH1A1HPGDBLMCYP1A2CYP2C19
SCHEMBL13551905 0.84 ALDH1A1 (0.35) ALDH1A1HPGDBLMCYP1A2CYP2C19
SCHEMBL28521546 0.82 ALOX15 (0.33) ALDH1A1HPGDBLMCYP1A2CYP2C19
SCHEMBL28530381 0.82 ALDH1A1 (0.33) ALDH1A1HPGDBLMCYP1A2CYP2C19
SCHEMBL16862478 0.82 ALDH1A1 (0.38) ALDH1A1HPGDBLMCYP1A2CYP2C19
SCHEMBL9809890 0.82 ALDH1A1 (0.38) ALDH1A1HPGDBLMCYP1A2CYP2C19
SCHEMBL22203032 0.82 ALDH1A1 (0.38) ALDH1A1HPGDBLMCYP1A2CYP2C19
SCHEMBL28991876 0.82 ALDH1A1 (0.38) ALDH1A1HPGDBLMCYP1A2CYP2C19
SCHEMBL557952 0.82 ALDH1A1 (0.38) ALDH1A1HPGDBLMCYP1A2CYP2C19

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-8133680-B2 affinity substrate comprises polydimethylsiloxane stamp alternately peptide-terminated or antibody terminated; WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-03-13 US disclosed
US-7651662-B2 Rubbed substrate surfaces; activation; uniform anchoring of liquid crystals WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-01-26 US disclosed