SCHEMBL8530395

SCHEMBL8530395

CC(=O)N[C@@H](CCc1ccncc1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.46
GNPAT O15228 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
ALOX15 P16050 1/20 0.43
NFKB1 P19838 1/20 0.43
PTGS2 P35354 1/20 0.43
THPO P40225 1/20 0.43
RECQL P46063 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.43
ACACB O00763 1/20 0.43
MMP12 P39900 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GPR132 Q9UNW8 2/20 0.41
MME P08473 1/20 0.41
CPA1 P15085 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
SCHEMBL8530388 1.00 ALB (0.46) ALBGNPATKDM4EMAPTTHRB
SCHEMBL8530392 1.00 ALB (0.46) ALBGNPATKDM4EMAPTTHRB
SCHEMBL6801056 0.91 ALB (0.53) ALBGNPATKDM4EMAPTTHRB
SCHEMBL6931278 0.85 GNPAT (0.57) ALBGNPATSMN1; SMN2TSHRMME
SCHEMBL468905 0.85 GNPAT (0.57) ALBGNPATSMN1; SMN2TSHRMME
SCHEMBL468907 0.85 GNPAT (0.57) ALBGNPATSMN1; SMN2TSHRMME
SCHEMBL17783704 0.85 ROCK2 (0.44) SMN1; SMN2TSHRACACBALDH1A1
SCHEMBL9345640 0.84 LMNA (0.56) GNPATKDM4EMAPTTHRBALOX15
SCHEMBL4062224 0.84 LMNA (0.56) GNPATKDM4EMAPTTHRBALOX15
SCHEMBL9350155 0.84 LMNA (0.56) GNPATKDM4EMAPTTHRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5807875-A OBESITY THERAPY DR. KARL THOMAE GMBH (DE) 1998-09-15 US disclosed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US disclosed