SCHEMBL8003559

SCHEMBL8003559

CC(CC(O)CCO)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.43
CYP1A2 P05177 1/20 0.43
NAALAD2 Q9Y3Q0 3/20 0.42
FOLH1 Q04609 2/20 0.42
ENPEP Q07075 2/20 0.42
THRB P10828 1/20 0.40
TP53 P04637 1/20 0.38
BLM P54132 1/20 0.38
ACE2 Q9BYF1 1/20 0.35
LTA4H P09960 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
OR51E2 Q9H255 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL160583 0.85 PTPN1 (0.41) GABRR1CYP1A2NAALAD2FOLH1ENPEP
SCHEMBL15648674 0.84 PTPN1 (0.44) GABRR1CYP1A2NAALAD2FOLH1ENPEP
SCHEMBL10945318 0.82 CHRM1 (0.46) GABRR1CYP1A2NAALAD2FOLH1ENPEP
Ethylene Glycol SCHEMBL15645227 0.82 NAALAD2 (0.42) GABRR1CYP1A2NAALAD2FOLH1ENPEP
SCHEMBL4751297 0.81 NAALAD2 (0.45) GABRR1CYP1A2NAALAD2FOLH1ENPEP
SCHEMBL5472712 0.80 BLM (0.55) GABRR1CYP1A2THRBTP53BLM
SCHEMBL8022294 0.80 BLM (0.55) GABRR1CYP1A2THRBTP53BLM
SCHEMBL8023357 0.80 BLM (0.55) GABRR1CYP1A2THRBTP53BLM
Ammonia Solution, Strong SCHEMBL7895146 0.79 NAALAD2 (0.43) GABRR1CYP1A2NAALAD2FOLH1ENPEP
SCHEMBL14876956 0.78 THRB (0.37) GABRR1CYP1A2THRBTP53RNPEP

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
WO-2000026321-A1 ANTIFOAMING AGENTS FOR DRILLING FLUIDS USED IN THE DRILLING OF SUBTERRANEAN WELLS SUN DRILLING PRODUCTS, INC. (US) 2000-05-11 WO disclosed