SCHEMBL3090756

SCHEMBL3090756

N=C(N)NCCCC(=O)NCP(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
ALOX15 P16050 1/20 0.37
LPAR1 Q92633 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
OTC P00480 1/20 0.34
PRSS1 P07477 1/20 0.34
TMPRSS15 P98073 1/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
FAAH O00519 2/20 0.32
LPAR2 Q9HBW0 1/20 0.31
CASP2 P42575 1/20 0.31
MMP2 P08253 1/20 0.31

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
SCHEMBL3105925 0.89 PRSS1 (0.35) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL3102797 0.79 ENTPD2 (0.42) TSHRALOX15LPAR1CA12CA1
SCHEMBL11137845 0.77
SCHEMBL12438895 0.77 NAAA (0.43) TSHRALOX15MEN1KMT2AFAAH
SCHEMBL3109246 0.76 LMNA (0.43) TSHRCYP1A2KMT2ACA1CA2
SCHEMBL10787872 0.75 MEN1 (0.46) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Water SCHEMBL10792737 0.75 ALOX15 (0.42) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL23543217 0.75 CASP2 (0.53) TSHRMEN1KMT2AFAAHCASP2
Guanidine SCHEMBL10908988 0.75 ALDH1A1 (0.31) ALOX15PRSS1TMPRSS15MMP2
Tiformin SCHEMBL828055 0.75 ALOX15 (0.47) TSHRALOX15MEN1CYP1A2KMT2A

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
US-20100247463-A1 N-(PHOSPHONOALKYL)-AMINO ACIDS, DERIVATIVES THEREOF AND COMPOSITIONS AND METHODS OF USE YU RUEY J 2010-09-30 US claimed