SCHEMBL8815905

SCHEMBL8815905

[NH]NC(N)(CCCC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
THRB P10828 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 3/20 0.38
BLM P54132 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GABRR3 A8MPY1 1/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
HDAC3 O15379 1/20 0.38
GABBR2 O75899 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRR1 P24046 1/20 0.38
GABRB3 P28472 1/20 0.38

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
SCHEMBL2392881 0.76 LMNA (0.44) LMNASLC22A6THRBKMT2ACYP1A2
SCHEMBL2392741 0.76 LMNA (0.44) LMNASLC22A6THRBKMT2ACYP1A2
SCHEMBL3213831 0.72 ADRA1A (0.43) LMNASLC22A6THRBKMT2ACYP1A2
SCHEMBL497881 0.72 LMNA (0.48) LMNASLC22A6THRBKMT2ACYP1A2
SCHEMBL7456984 0.71 LMNA (0.53) LMNASLC22A6THRBKMT2ACYP1A2
SCHEMBL7878307 0.71 NAALAD2 (0.38) THRBKMT2ACYP1A2MEN1ALDH1A1
SCHEMBL5595934 0.70 LMNA (0.46) LMNASLC22A6THRBKMT2ACYP1A2
SCHEMBL10657156 0.69 LMNA (0.50) LMNASLC22A6THRBKMT2ACYP1A2
SCHEMBL5167204 0.69 LMNA (0.50) LMNASLC22A6THRBKMT2ACYP1A2
SCHEMBL9003618 0.68 ARG1 (0.57) LMNASLC22A6THRBKMT2ACYP1A2

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-1997001528-A1 PROCESS FOR PREPARING AQUEOUS, LOW-VISCOSITY BETAINE CONCENTRATES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-01-16 WO disclosed