SCHEMBL7742009

SCHEMBL7742009

CCCCOC(=O)[C@H](N)CC(=O)NC(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP3A4 P08684 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CTSL P07711 2/20 0.44
CTSS P25774 2/20 0.44
CTSK P43235 2/20 0.43
MAPT P10636 1/20 0.43
LTA4H P09960 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A1 P43005 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL7742857 1.00 L3MBTL1 (0.51) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL10805172 0.87 SLC1A3 (0.49) ALDH1A1TSHRLTA4HSLC1A3SLC1A1
SCHEMBL6447987 0.82 SLC1A1 (0.59) TSHRLTA4HSLC1A3SLC1A1LMNA
SCHEMBL7271113 0.82 SLC1A1 (0.59) TSHRLTA4HSLC1A3SLC1A1LMNA
SCHEMBL13955400 0.81 ALDH1A1 (0.57) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL17244713 0.79 DPP8 (0.61) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7302361 0.79 SLC1A3 (0.42) ALDH1A1TSHRCTSLCTSSCTSK
SCHEMBL7151534 0.78 SYK (0.50) CTSLCTSSCTSKMAPTLTA4H
SCHEMBL4729999 0.77 TSHR (0.55) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL28204578 0.77 KMT2A (0.58) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1

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-6420166-B2 REACTING AN N-PROTECTED ASPARAGINE ESTER WITH A PROTEASE IN AQUEOUS SOLUTION AT PH OF 6.0 TO 7.5 AND AN ORGANIC SOLVENT, AND EXTRACTING THE N-PROTECTED-D-ASPARAGINE ESTER; CHEMICAL INTERMEDIATES TO ANTIBACTERIAL COMPOUNDS BASOLEA PHARMACEUTICA AG (CH) 2002-07-16 US disclosed
US-20010049127-A1 Process for the preparation of D-asparagine derivatives HOFFMANN-LA ROCHE INC. 2001-12-06 US disclosed
EP-1148140-A1 Process for the preparation of D-asparagine derivatives Basilea Pharmaceutica AG (CH) 2001-10-24 EP disclosed