SCHEMBL6575624

SCHEMBL6575624

C[C@@H](SC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.44
NPSR1 Q6W5P4 3/20 0.44
RXFP1 Q9HBX9 2/20 0.44
GPR139 Q6DWJ6 1/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 2/20 0.42
XBP1 P17861 1/20 0.42
ATM Q13315 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAP2K7 O14733 1/20 0.41
ELANE P08246 1/20 0.41
CDC25A P30304 1/20 0.41
CDC25B P30305 1/20 0.41
PRNP P04156 1/20 0.41
MAPK10 P53779 1/20 0.41
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
TSHR P16473 3/20 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
SCHEMBL7546809 1.00 SMN1; SMN2 (0.44) SMN1; SMN2NPSR1RXFP1GPR139MAPT
SCHEMBL6578239 1.00 SMN1; SMN2 (0.44) SMN1; SMN2NPSR1RXFP1GPR139MAPT
Hydrochloric Acid SCHEMBL11106436 0.98 SMN1; SMN2 (0.42) SMN1; SMN2NPSR1RXFP1GPR139MAPT
SCHEMBL11046996 0.84 KMT2A (0.44) SMN1; SMN2NPSR1GPR139MAPTLMNA
SCHEMBL16044915 0.83 MAPT (0.45) SMN1; SMN2NPSR1GPR139MAPTLMNA
SCHEMBL6057193 0.83 CES2 (0.50) SMN1; SMN2NPSR1GPR139MAPTLMNA
SCHEMBL13533998 0.82 SMN1; SMN2 (0.41) SMN1; SMN2NPSR1RXFP1MAPTLMNA
SCHEMBL6830394 0.81 LMNA (0.44) SMN1; SMN2NPSR1GPR139MAPTLMNA
SCHEMBL4065108 0.80 CES2 (0.42) SMN1; SMN2NPSR1GPR139MAPTLMNA
SCHEMBL4065115 0.80 CES2 (0.42) SMN1; SMN2NPSR1GPR139MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0870762-B1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2004-04-28 EP disclosed
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
US-5872281-A COMPOUNDS FOR TREATMENT OF RHEUMATIC DISEASES, PSORIASIS, INTESTINAL INFLAMATION SANTEN PHARMACEUTICAL CO., LTD. (JP) 1999-02-16 US disclosed
EP-0870762-A1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 1998-10-14 EP disclosed
US-4224457-A Process for manufacturing optically active sulfur-containing carboxylic acid SANTEN PHARMACEUTICAL CO., LTD. (JP) 1980-09-23 US disclosed