SCHEMBL7543379

SCHEMBL7543379

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 1/20 0.36
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
SLC1A1 P43005 1/20 0.35
CTSC P53634 2/20 0.35
ALOX5 P09917 1/20 0.35
KIF11 P52732 1/20 0.34
FFAR1 O14842 1/20 0.34
PKM P14618 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL7537846 0.89 KMT2A (0.36) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL8425360 0.84 ALPI (0.49) HPGDSLC1A3SLC1A2SLC1A1CTSC
SCHEMBL1434038 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KIF11FFAR1PKM
SCHEMBL6690977 0.80 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KIF11FFAR1PKM
SCHEMBL3836356 0.78 ALOX5 (0.47) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL7538324 0.77 SLC1A3 (0.35) ALDH1A1SLC1A3SLC1A2SLC1A1ALOX5
SCHEMBL7775511 0.76 CYP2C19 (0.40) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL7775515 0.76 CYP2C19 (0.40) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL10947287 0.75 ALDH1A1 (0.41) ALDH1A1HPGDRAB9ANPC1SMN1; SMN2
SCHEMBL11392213 0.74 HPGDS (0.42) ALDH1A1HPGDRAB9ACYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837877-B1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS PHARMACON FORSCHUNG & BERATUNG GMBH (AT) 2001-08-16 EP claimed
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-B1 L-ASPARTYL-L-THIENYLALANINE METHYL ESTERS, PROCESS FOR PRODUCING THEM AND THEIR USE AS SWEETENERS PHARMACON FORSCHUNG & BERATUNG GMBH (AT) 2001-08-16 EP disclosed
US-5929253-A L-aspartyl-L-thienylalanine methyl ester, process for its preparation and use as sweetener PHARMACON FORSCHUNG UND BERATUNG GMBH (AT) 1999-07-27 US 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-1998004584-A1 CYCLIC DECAPEPTIDE ANTIBIOTICS SEATEK MARINE BIOTECHNOLOGY, INC. (CA) 1998-02-05 WO 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