SCHEMBL7032947

SCHEMBL7032947

NC(CC(=O)O)C(=O)C(Cc1ccccc1)(NC=O)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
LTA4H P09960 3/20 0.38
TSHR P16473 1/20 0.38
KIF11 P52732 5/20 0.36
ALDH1A1 P00352 1/20 0.36
RECQL P46063 1/20 0.36
ALPI P09923 1/20 0.36
PKM P14618 1/20 0.36
PTGS1 P23219 1/20 0.36
XIAP P98170 1/20 0.36
SLC7A5 Q01650 1/20 0.36
SLC15A1 P46059 1/20 0.35
CPA1 P15085 2/20 0.35
CPB1 P15086 1/20 0.35
CPA3 P15088 1/20 0.35
CPB2 Q96IY4 1/20 0.35
GRIK1 P39086 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34

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
SCHEMBL27469665 0.91 SMN1; SMN2 (0.39) SMN1; SMN2HIF1ATSHRKIF11ALDH1A1
Hydrochloric Acid SCHEMBL9191561 0.83 SMN1; SMN2 (0.41) SMN1; SMN2HIF1ALTA4HKIF11ALDH1A1
SCHEMBL8859254 0.76 LMNA (0.41) TSHRALDH1A1RECQL
SCHEMBL8766415 0.75 TSHR (0.42) LTA4HTSHRKIF11ALDH1A1RECQL
SCHEMBL5658804 0.75 SMN1; SMN2 (0.64) SMN1; SMN2HIF1ALTA4HKIF11ALPI
SCHEMBL11020715 0.70 SMN1; SMN2 (0.49) SMN1; SMN2HIF1ALTA4HTSHRKIF11
Hydrochloric Acid SCHEMBL9019585 0.69 SMN1; SMN2 (0.47) SMN1; SMN2HIF1ALTA4HTSHRKIF11
SCHEMBL9618909 0.68 SMN1; SMN2 (0.54) SMN1; SMN2HIF1ATSHRCPA1CPB1
SCHEMBL5500711 0.68 LTA4H (0.44) LTA4HTSHRKIF11ALDH1A1RECQL
SCHEMBL27183158 0.68 CYP3A4 (0.54) SMN1; SMN2HIF1ALTA4HALDH1A1RECQL

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186378-B1 PROCESS FOR THE PREPARATION OF N-FORMYL-ALPHA-ASPARTYL PHENYLALANINE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-01-15 EP claimed
WO-2002085840-A9 PROCESS FOR PRODUCING N-FORMYLAMINO ACID AND UTILIZATION THEREOF AJINOMOTO KK (JP) 2003-03-06 WO disclosed
WO-2002085840-A1 PROCESS FOR PRODUCING N-FORMYLAMINO ACID AND UTILIZATION THEREOF AJINOMOTO CO., INC. (JP) 2002-10-31 WO disclosed
EP-0471833-B1 METHOD FOR INCREASING THE ALPHA TO BETA RATIO IN AN ASPARTAME COUPLING REACTION NUTRASWEET CO (US) 1995-06-14 EP disclosed
EP-0186378-B1 PROCESS FOR THE PREPARATION OF N-FORMYL-ALPHA-ASPARTYL PHENYLALANINE MITSUI TOATSU CHEMICALS, Inc. (JP) 1992-01-15 EP disclosed
EP-0186378-A2 Process for the preparation of N-formyl-alpha-aspartyl phenylalanine MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-07-02 EP disclosed