SCHEMBL5498331

SCHEMBL5498331

CC(=O)OCCO.CC(=O)OCCO.CCCCOCCCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.68
TSHR P16473 4/20 0.64
MEN1 O00255 1/20 0.52
THRB P10828 1/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 1/20 0.52
MAPT P10636 1/20 0.52
ACHE P22303 1/20 0.48
CES2 O00748 1/20 0.44
ATM Q13315 1/20 0.42
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
MGLL Q99685 1/20 0.40
HPGD P15428 1/20 0.39
PGR P06401 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
HTR1A P08908 1/20 0.39
CHRM5 P08912 1/20 0.39

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
SCHEMBL570790 1.00 ALDH1A1 (0.68) ALDH1A1TSHRMEN1THRBHTT
Methyl Alcohol SCHEMBL16095002 0.96 ALDH1A1 (0.63) ALDH1A1TSHRMEN1THRBHTT
SCHEMBL15136261 0.96 TSHR (0.65) ALDH1A1TSHRMEN1THRBHTT
Alcohol SCHEMBL7594601 0.94 ALDH1A1 (0.61) ALDH1A1TSHRMEN1THRBHTT
Alcohol SCHEMBL7622003 0.94 ALDH1A1 (0.61) ALDH1A1TSHRMEN1THRBHTT
Acetic Acid Butyl Ester SCHEMBL1181041 0.94 ALDH1A1 (0.72) ALDH1A1TSHRMEN1THRBHTT
Acetic Acid Butyl Ester SCHEMBL3052242 0.92 ALDH1A1 (0.69) ALDH1A1TSHRMEN1THRBHTT
SCHEMBL273114 0.92 TSHR (0.65) ALDH1A1TSHRMEN1THRBHTT
SCHEMBL1401440 0.92 TSHR (0.65) ALDH1A1TSHRMEN1THRBHTT
Di(Hydroxyethyl)Ether SCHEMBL13516981 0.92 TSHR (0.65) ALDH1A1TSHRMEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1842581-A1 Highly asymmetric ultrafiltration membranes Pall Corporation (US) 2007-10-10 EP claimed