SCHEMBL6574059

SCHEMBL6574059

CC(CC(O)=S)C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
HTR2A P28223 1/20 0.49
HRH1 P35367 1/20 0.49
KCNH2 Q12809 1/20 0.49
LMNA P02545 7/20 0.46
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 1/20 0.45
MDM2 Q00987 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
ATM Q13315 2/20 0.42
NPC1 O15118 1/20 0.42

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
SCHEMBL8823315 0.84 PGR (0.52) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL135357 0.84 PGR (0.52) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL25645639 0.82 L3MBTL1 (0.64) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL6574054 0.81 PGR (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL8535929 0.78 KCNA5 (0.49) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL2736655 0.78 L3MBTL1 (0.54) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL337276 0.78 L3MBTL1 (0.54) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL2128162 0.78 PGR (0.58) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL14665678 0.78 PGR (0.53) PGRADRA2AADRA2BHTR2AHRH1
SCHEMBL2736656 0.78 L3MBTL1 (0.54) PGRADRA2AADRA2BHTR2AHRH1

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-0870762-B1 NOVEL AMINO ACID DERIVATIVES HAVING N,N-DIALKYLAMINOPHENYL GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2004-04-28 EP 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