SCHEMBL7546509

SCHEMBL7546509

C1CCC(NC2CCCCC2)CC1.CC(=O)S[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
KDM4E B2RXH2 1/20 0.43
EPHX1 P07099 3/20 0.43
HPGD P15428 2/20 0.43
MME P08473 2/20 0.43
ACE P12821 2/20 0.43
CPA1 P15085 2/20 0.43
ACE2 Q9BYF1 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ANPEP P15144 2/20 0.42
ERAP2 Q6P179 2/20 0.42
ALDH1A1 P00352 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7449920 0.86 EPHX2 (0.45) EPHX2TDP1SMN1; SMN2EPHX1HPGD
SCHEMBL7449915 0.86 EPHX2 (0.45) EPHX2TDP1SMN1; SMN2EPHX1HPGD
SCHEMBL839468 0.83 ALPI (0.53) TDP1KDM4EHPGDCPA1NPC1
SCHEMBL839467 0.83 ALPI (0.53) TDP1KDM4EHPGDCPA1NPC1
SCHEMBL4842827 0.83 ALPI (0.53) TDP1KDM4EHPGDCPA1NPC1
SCHEMBL27523629 0.81 THRB (0.42) EPHX2SMN1; SMN2KDM4EEPHX1ALDH1A1
Dl-Phenylalanine SCHEMBL9318540 0.80 SLC7A5 (0.65) EPHX2TDP1SMN1; SMN2EPHX1HPGD
Phenylalanine SCHEMBL9318542 0.80 SLC7A5 (0.65) EPHX2TDP1SMN1; SMN2EPHX1HPGD
SCHEMBL9395382 0.79 ALPI (0.49) TDP1KDM4EHPGDMMECPA1
SCHEMBL9395387 0.79 PKM (0.49) TDP1KDM4EHPGDCPA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056715-B1 PROCESS FOR PREPARING 2-ACETYLTHIO-3-PHENYL-PROPIONIC ACID AND THE SALTS THEREOF ZAMBON SPA (IT) 2002-06-12 EP disclosed
EP-1056715-A1 PROCESS FOR PREPARING 2-ACETYLTHIO-3-PHENYL-PROPIONIC ACID AND THE SALTS THEREOF ZAMBON GROUP S.p.A. (IT) 2000-12-06 EP disclosed
US-6080881-A Process for preparing 2-acetythio-3-phenyl-propionic acid and the salts thereof ZAMBON GROUP S.P.A. (IT) 2000-06-27 US disclosed
WO-1999042438-A1 PROCESS FOR PREPARING 2-ACETYLTHIO-3-PHENYL-PROPIONIC ACID AND THE SALTS THEREOF ZAMBON GROUP S.P.A. (IT) 1999-08-26 WO disclosed