SCHEMBL3963417

SCHEMBL3963417

CCN(c1ccccc1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
ALDH1A1 P00352 2/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
GLA P06280 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 2/20 0.43
ADAMTS5 Q9UNA0 1/20 0.43
CPA1 P15085 2/20 0.42
CPA3 P15088 2/20 0.42
FOLH1 Q04609 1/20 0.42
CPB1 P15086 1/20 0.42
CPB2 Q96IY4 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.41
POLB P06746 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
SCHEMBL1878620 1.00 CYP1A2 (0.47) CYP1A2ALDH1A1ALPIPKMPTGS1
SCHEMBL1881896 1.00 CYP1A2 (0.47) CYP1A2ALDH1A1ALPIPKMPTGS1
SCHEMBL7420130 0.85 CYP1A2 (0.48) CYP1A2ALDH1A1ALPIPKMPTGS1
SCHEMBL7420127 0.85 CYP1A2 (0.48) CYP1A2ALDH1A1ALPIPKMPTGS1
SCHEMBL9324872 0.84 TSHR (0.48) ALDH1A1GLATSHRMAPTMEN1
SCHEMBL7422432 0.83 ALPI (0.49) CYP1A2ALDH1A1ALPIPKMPTGS1
SCHEMBL8403391 0.83 CYP1A2 (0.47) CYP1A2ALDH1A1ALPIPKMPTGS1
SCHEMBL7422429 0.83 ALPI (0.49) CYP1A2ALDH1A1ALPIPKMPTGS1
SCHEMBL30401308 0.83 TSHR (0.47) ALDH1A1GLATSHRMAPTMEN1
SCHEMBL11041302 0.81 TSHR (0.46) ALDH1A1GLATSHRMAPTCPA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773877-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Bristol-Myers Squibb Company (US) 2007-04-18 EP claimed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 WO claimed
EP-2021354-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS Brystol-Myers Squibb Company (US) 2009-02-11 EP disclosed
EP-1976873-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Brystol-Myers Squibb Company (US) 2008-10-08 EP disclosed
WO-2007140284-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
WO-2007082264-A2 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-07-19 WO disclosed
EP-1773877-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS Bristol-Myers Squibb Company (US) 2007-04-18 EP disclosed
WO-2006014287-A1 HUMAN GLUCAGON-LIKE-PEPTIDE-1 MODULATORS AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED CONDITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-09 WO disclosed