SCHEMBL7541791

SCHEMBL7541791

CCCCOC(=O)[C@@](C)(C(=O)[C@@H](N)CC(=O)O)N(C(=O)OCc1ccccc1)c1cccs1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LTA4H P09960 2/20 0.34
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MBOAT4 Q96T53 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
SCHEMBL7775661 0.79 LTA4H (0.33) ALDH1A1LTA4HCHRM2CHRM1CHRM3
SCHEMBL9301990 0.74 ABCB1 (0.40) ALDH1A1LTA4HSMN1; SMN2
SCHEMBL8346336 0.67 CHRM2 (0.36) ALDH1A1LTA4HCHRM2CHRM1CHRM3
SCHEMBL27775074 0.66 ALDH1A1 (0.58) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
Tridecane SCHEMBL29056189 0.66 CETP (0.49) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL11698202 0.65 LTA4H (0.40) ALDH1A1LTA4HSMN1; SMN2
SCHEMBL28781374 0.65 ALDH1A1 (0.57) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL13955400 0.65 ALDH1A1 (0.57) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7258076 0.65 TSHR (0.48) L3MBTL1ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL7440888 0.65 ALDH1A1 (0.43) 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
EP-0837877-B8 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS PHARMACON FORSCHUNG & BERATUNG GMBH (AT) 2002-05-15 EP disclosed
EP-0837877-A1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS HOLLAND SWEETENER COMPANY V.O.F. (NL) 1998-04-29 EP disclosed
WO-1996037507-A1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS HOLLAND SWEETENER COMPANY V.O.F. (NL) 1996-11-28 WO disclosed