SCHEMBL6162834

SCHEMBL6162834

CC(C)CC(CSC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR139 Q6DWJ6 1/20 0.46
TSHR P16473 1/20 0.43
KMT2A Q03164 3/20 0.42
ANPEP P15144 1/20 0.41
RNPEP Q9H4A4 1/20 0.41
DNPEP Q9ULA0 1/20 0.41
SLC1A3 P43003 1/20 0.40
SLC1A2 P43004 1/20 0.40
ACE P12821 1/20 0.39
PTPN1 P18031 1/20 0.39
GSK3B P49841 1/20 0.39
CYP1A2 P05177 1/20 0.38
CPA1 P15085 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL5695680 0.83 TSHR (0.46) GPR139TSHRKMT2ASLC1A3SLC1A2
SCHEMBL5695682 0.83 TSHR (0.46) GPR139TSHRKMT2ASLC1A3SLC1A2
SCHEMBL6057191 0.83 GPR139 (0.53) GPR139TSHRKMT2AACEPTPN1
Ammonia Solution, Strong SCHEMBL7436224 0.81 GPR139 (0.51) GPR139TSHRKMT2AACEPTPN1
SCHEMBL5695679 0.81 SLC6A3 (0.47) GPR139TSHRKMT2ASLC1A3SLC1A2
SCHEMBL5695683 0.81 SLC6A3 (0.47) GPR139TSHRKMT2ASLC1A3SLC1A2
SCHEMBL5695631 0.80 GPR139 (0.50) GPR139TSHRKMT2AACEPTPN1
SCHEMBL1356206 0.80 GPR139 (0.50) GPR139TSHRKMT2AACEPTPN1
SCHEMBL7897731 0.80 GPR139 (0.50) GPR139TSHRKMT2AACEPTPN1
SCHEMBL6169492 0.79 CYP1A2 (0.61) SLC1A3SLC1A2CYP1A2CPA1

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-0877740-B1 THIOL DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 2005-03-30 EP disclosed
US-5994539-A Mercapto acyl aminoacid derivatives endowed with dual ACE-NEP inhibitory activity, useful in the treatment of cardiovascular diseases ZAMBON GROUP S.P.A. (IT) 1999-11-30 US disclosed
US-5760241-A ANGIOTENSIN CONVERTING ENZYME AND ENKEPHALINASE INHIBITORS; CARDIOVASCULAR DISORDERS ZAMBON GROUP S.P.A. (IT) 1998-06-02 US disclosed