SCHEMBL7723458

SCHEMBL7723458

O=C(O)CNCCNCC1CCC(C(=O)O)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.47
PLAT P00750 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
ANPEP P15144 1/20 0.39
ENPEP Q07075 1/20 0.39
VCP P55072 10/20 0.38
SAT1 P21673 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 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
SCHEMBL7719764 0.87 PLG (0.46) PLGPLATLMNAKMT2AMEN1
SCHEMBL7719751 0.86 LMNA (0.44) PLGPLATLMNAKMT2AMEN1
SCHEMBL21174845 0.82 PLG (0.60) PLGPLATLMNAKMT2AMEN1
SCHEMBL21174844 0.82 PLG (0.60) PLGPLATLMNAKMT2AMEN1
SCHEMBL25339676 0.82 PLG (0.60) PLGPLATLMNAKMT2AMEN1
SCHEMBL524625 0.80
SCHEMBL22870137 0.79 PLG (0.48) PLGPLATLMNAKMT2AMEN1
SCHEMBL12156420 0.79 PLG (0.48) PLGPLATLMNAKMT2AMEN1
Hydrochloric Acid SCHEMBL30478821 0.78 TDP1 (0.44) PLGPLATLMNAALDH1A1ANPEP
SCHEMBL8991907 0.76 TDP1 (0.40) PLGPLATLMNAKMT2AMEN1

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-6417396-B1 BY-PRODUCT INHIBITION; REACTING ORGANIC ALKALI OR ALKALINE EARTH METAL CARBOXYLATE, PHOSPHONATE, OR SULFONATE; ACYLATION, PHOSPHORYLATION, SULFONATION, AMIDATION, ALKYLATION, CYCLIZATION, OR CONDENSATION Lambert, Warner 2002-07-09 US disclosed
US-6395930-B1 AMINE SULFIDE PHOSPHATE OR SULFATE REAGENTS WARNER LAMBERT 2002-05-28 US disclosed
US-6121488-A Quenching reagents for solution phase synthesis WARNER-LAMBERT COMPANY (US) 2000-09-19 US disclosed