SCHEMBL4964528

SCHEMBL4964528

CN(c1ccccc1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
MAPT P10636 2/20 0.49
ALDH1A1 P00352 1/20 0.49
NR4A2 P43354 1/20 0.48
ADAMTS5 Q9UNA0 1/20 0.48
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
PTGS1 P23219 1/20 0.47
XIAP P98170 1/20 0.47
SLC7A5 Q01650 1/20 0.47
HPGD P15428 1/20 0.46
CPA1 P15085 2/20 0.44
CPA3 P15088 2/20 0.44
FOLH1 Q04609 1/20 0.44
CPB1 P15086 1/20 0.44
CPB2 Q96IY4 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 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
SCHEMBL4964530 1.00 CYP1A2 (0.50) CYP1A2MAPTALDH1A1NR4A2ADAMTS5
SCHEMBL7046035 0.90 SLC7A5 (0.47) NR4A2SLC7A5POLB
SCHEMBL7046033 0.90 SLC7A5 (0.47) NR4A2SLC7A5POLB
SCHEMBL4157751 0.83 ATM (0.47) MAPTALDH1A1MEN1KMT2APOLB
SCHEMBL756362 0.83 MAPT (0.61) CYP1A2MAPTALDH1A1NR4A2ADAMTS5
SCHEMBL121727 0.83 MAPT (0.61) CYP1A2MAPTALDH1A1NR4A2ADAMTS5
SCHEMBL121728 0.83 MAPT (0.61) CYP1A2MAPTALDH1A1NR4A2ADAMTS5
SCHEMBL4168999 0.82 ALDH1A1 (0.49) CYP1A2MAPTALDH1A1HPGDKMT2A
SCHEMBL4564576 0.81 ALDH1A1 (0.41) ALDH1A1MEN1KMT2APOLBCYP2C9
Hydrochloric Acid SCHEMBL1082351 0.81 ALDH1A1 (0.64) CYP1A2MAPTALDH1A1NR4A2ADAMTS5

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
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 claimed
EP-1883652-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS Bristol-Myers Squibb Company (US) 2008-02-06 EP claimed
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 claimed
WO-2006127948-A2 N-TERMINALLY MODIFIED GLP-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-30 WO claimed
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