SCHEMBL6574063

SCHEMBL6574063

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
KMT2A Q03164 3/20 0.43
HPGD P15428 2/20 0.43
MEN1 O00255 1/20 0.43
GPR139 Q6DWJ6 1/20 0.43
NR4A2 P43354 1/20 0.42
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FFAR1 O14842 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALKBH5 Q6P6C2 1/20 0.40
PGR P06401 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
KCNH2 Q12809 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL10633126 1.00 TSHR (0.45) TSHRKMT2AHPGDMEN1GPR139
SCHEMBL10908312 0.86 TSHR (0.43) TSHRKMT2AHPGDMEN1GPR139
SCHEMBL16250754 0.85 GPR139 (0.45) TSHRKMT2AHPGDMEN1GPR139
SCHEMBL16236134 0.85 GPR139 (0.45) TSHRKMT2AHPGDMEN1GPR139
SCHEMBL25627291 0.83 GPR139 (0.44) TSHRKMT2AHPGDMEN1GPR139
SCHEMBL28151451 0.82 NR4A2 (0.48) TSHRKMT2AGPR139NR4A2ALDH1A1
SCHEMBL19264805 0.81 GPR139 (0.43) TSHRKMT2AHPGDMEN1GPR139
SCHEMBL18113153 0.80 KMT2A (0.49) TSHRKMT2AMEN1ALDH1A1LMNA
SCHEMBL28180788 0.80 RAB9A (0.43) TSHRKMT2AHPGDGPR139NR4A2
SCHEMBL16044915 0.78 MAPT (0.45) TSHRKMT2AHPGDMEN1GPR139

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