SCHEMBL6311567

SCHEMBL6311567

CCCCCN[C@@H](COCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.53
FOLH1 Q04609 1/20 0.51
PPARG P37231 1/20 0.48
MME P08473 1/20 0.48
TAOK1 Q7L7X3 1/20 0.47
TAOK3 Q9H2K8 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.47
SIRT1 Q96EB6 1/20 0.47
TLR2 O60603 1/20 0.46
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
CETP P11597 3/20 0.45
CTSS P25774 1/20 0.45
GGT1 P19440 1/20 0.44
SLC1A1 P43005 1/20 0.44

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
SCHEMBL7588488 0.87 FOLH1 (0.59) PPARAFOLH1PPARGMMECTSS
SCHEMBL9450975 0.82 FOLH1 (0.54) PPARAFOLH1PPARGMMEMEN1
SCHEMBL5347315 0.82 FOLH1 (0.54) PPARAFOLH1PPARGMMEMEN1
SCHEMBL249801 0.81 BCHE (0.54) MMETLR2HPGDGGT1
SCHEMBL249802 0.81 BCHE (0.54) MMETLR2HPGDGGT1
SCHEMBL3143813 0.81 BCHE (0.54) MMETLR2HPGDGGT1
SCHEMBL28526224 0.81 FAAH (0.60) PPARAFOLH1MMEMEN1KMT2A
SCHEMBL28526228 0.81 FAAH (0.60) PPARAFOLH1MMEMEN1KMT2A
SCHEMBL6702717 0.80 FAAH (0.55) MMESIRT2SIRT1TLR2HPGD
SCHEMBL6702715 0.80 FAAH (0.55) MMESIRT2SIRT1TLR2HPGD

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
US-6869788-B2 DNA encoding novel D-aminoacylase and process for producing D-amino acid by using the same MITSUI CHEMICALS, INC. (JP) 2005-03-22 US disclosed
EP-1365023-A1 DNA ENCODING NOVEL D-AMINOACYLASE AND PROCESS FOR PRODUCING D-AMINO ACID BY USING THE SAME Mitsui Chemicals, Inc. (JP) 2003-11-26 EP disclosed
US-20030207436-A1 Dna encoding novel d-aminoacylase and process for producing d-amino acid by using the same MITSUI CHEMICALS, INC. (JP) 2003-11-06 US disclosed