SCHEMBL7716618

SCHEMBL7716618

O=C(O)CCNCCNCCC1CCC(C(=O)O)CC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLG P00747 1/20 0.44
PLAT P00750 1/20 0.44
LMNA P02545 1/20 0.44
KDM5A P29375 2/20 0.37
KDM4C Q9H3R0 2/20 0.37
PHF8 Q9UPP1 2/20 0.37
KDM2A Q9Y2K7 2/20 0.37
KDM7A Q6ZMT4 1/20 0.37
ANPEP P15144 1/20 0.37
ENPEP Q07075 1/20 0.37
ITGB3 P05106 10/20 0.35
ITGA2B P08514 10/20 0.35
F2R P25116 6/20 0.34
KCNH2 Q12809 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 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
SCHEMBL7719751 0.90 LMNA (0.44) PLGPLATLMNAKDM5AKDM4C
SCHEMBL7719764 0.88 PLG (0.46) PLGPLATLMNAANPEPENPEP
SCHEMBL6877330 0.80 KDM5A (0.47) LMNAKDM5AKDM4CPHF8KDM2A
SCHEMBL12926818 0.79 LMNA (0.56) PLGPLATLMNAKDM5AKDM4C
Hydrochloric Acid SCHEMBL1677750 0.79 KDM5A (0.46) LMNAKDM5AKDM4CPHF8KDM2A
SCHEMBL8388643 0.75 KDM5A (0.41) LMNAKDM5AKDM4CPHF8KDM2A
SCHEMBL7723458 0.75 PLG (0.47) PLGPLATLMNAANPEPENPEP
SCHEMBL11664391 0.74 LMNA (0.65) PLGPLATLMNAANPEPENPEP
SCHEMBL5165942 0.74 LMNA (0.50) PLGPLATLMNAANPEPENPEP
SCHEMBL27534337 0.74 LMNA (0.50) PLGPLATLMNAANPEPENPEP

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