SCHEMBL27548741

SCHEMBL27548741

CCNCC1(OC(C)=O)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
LMNA P02545 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSK P43235 1/20 0.32
GAA P10253 1/20 0.31
CASP1 P29466 1/20 0.31
MEN1 O00255 1/20 0.30
CYP3A4 P08684 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL27484971 0.83 CTSL (0.36) LMNACTSLCTSBCTSKGAA
SCHEMBL27484249 0.81 SLC6A4 (0.33) SLC6A2SLC6A4SLC6A3LMNA
SCHEMBL27472632 0.81 KMT2A (0.35) CTSLCTSBCTSKMEN1KMT2A
SCHEMBL27483913 0.81 MEN1 (0.32) MEN1KMT2A
SCHEMBL27470787 0.80 ALDH1A1 (0.31) MEN1KMT2A
SCHEMBL27485317 0.80 TSHR (0.39) LMNACASP1
SCHEMBL14883391 0.79 ALDH1A1 (0.32) LMNAMEN1KMT2A
SCHEMBL440062 0.79 ALDH1A1 (0.32) LMNAMEN1KMT2A
SCHEMBL13649534 0.79 ALDH1A1 (0.32) LMNAMEN1KMT2A
SCHEMBL9178405 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1626069-A Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of diabetic retinopathy WARNER LAMBERT CO (US) 2005-06-15 CN claimed
CN-1170811-C Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy ��ʲ 2004-10-13 CN claimed
CN-1344245-A Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy WARNER LAMBER CO (US) 2002-04-10 CN claimed
CN-1626069-A Branched chain amino acid-dependent aminotransferase inhibitors and their use in the treatment of diabetic retinopathy WARNER LAMBERT CO (US) 2005-06-15 CN disclosed
CN-1170811-C Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy ��ʲ 2004-10-13 CN disclosed
CN-1344245-A Inhibitors of branched chain amino acid dependent aminotransferases and their use in the treatment of diabetic retinopathy WARNER LAMBER CO (US) 2002-04-10 CN disclosed