SCHEMBL5286288

SCHEMBL5286288

NC(CC(C(=O)O)c1ccccc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.62
GRM3 Q14832 2/20 0.62
SLC1A1 P43005 3/20 0.53
SLC1A2 P43004 2/20 0.53
SLC1A3 P43003 1/20 0.53
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
CYP2C19 P33261 1/20 0.52
KYNU Q16719 1/20 0.51
GRIK1 P39086 4/20 0.47
EPHX1 P07099 1/20 0.47
GRIK2 Q13002 3/20 0.46
CYP2D6 P10635 1/20 0.45
SRC P12931 1/20 0.45

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
SCHEMBL6448129 1.00 GRM2 (0.62) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL6158397 0.89 GRM2 (0.59) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL8558695 0.87 GRM2 (0.57) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL28640680 0.86 CYP2C19 (0.53) GRM2GRM3ALPIPKMPTGS1
SCHEMBL7973743 0.85 CYP2C19 (0.61) GRM2GRM3CYP2C19EPHX1CYP2D6
SCHEMBL5282418 0.83 GRM2 (0.79) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL29182085 0.81 MMP8 (0.48) GRM2GRM3CYP2C19
SCHEMBL10150939 0.81 CYP2C19 (0.57) GRM2GRM3CYP2C19EPHX1CYP2D6
SCHEMBL9065063 0.80 KYNU (0.70) GRM2GRM3SLC1A1SLC1A2SLC1A3
SCHEMBL9065025 0.80 KYNU (0.70) GRM2GRM3SLC1A1SLC1A2SLC1A3

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US claimed
US-20140272065-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-09-18 US disclosed
US-20140272065-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-09-18 US disclosed
US-20140272065-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2014-09-18 US disclosed
EP-2770849-A1 ORGANIC COMPOUNDS Givaudan SA (CH) 2014-09-03 EP disclosed
WO-2013060815-A1 ORGANIC COMPOUNDS GIVAUDAN SA (CH) 2013-05-02 WO disclosed
WO-2007002594-A1 COSMETIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
WO-2007002469-A2 THERAPEUTIC COMPOSITIONS AND METHODS USING TRANSFORMING GROWTH FACTOR-BETA MIMICS BHATNAGAR RAJENDRA S (US) 2007-01-04 WO disclosed
US-20060293227-A1 Cosmetic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
US-20060293228-A1 Therapeutic compositions and methods using transforming growth factor-beta mimics BHATNAGAR RAJENDRA S 2006-12-28 US disclosed
EP-1196436-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE Bristol-Myers Squibb Pharma Company (US) 2002-04-17 EP disclosed
WO-2001064678-A2 INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-07 WO disclosed
WO-2001040262-A1 ALPHA-KETOAMIDE INHIBITORS OF HEPATITIS C VIRUS NS3 PROTEASE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-06-07 WO disclosed
WO-2001002424-A2 PEPTIDE BORONIC ACID INHIBITORS OF HEPATITIS C VIRUS PROTEASE DU PONT PHARMACEUTICALS COMPANY (US) 2001-01-11 WO disclosed
US-6110941-A AN IMMUNOMODULATOR MODULATING THE IMMUNE RESPONSE OF A MAMMAL, INHIBITING ANTIGEN-INDUCED SYNTHESIS OF INTERLEUKIN-2 GRUENENTHAL GMBH (DE) 2000-08-29 US disclosed
CN-1190096-A Compounds analogous to thalidomide from class comprising piperidine-2,6-diones GRUENENTHAL GMBH (DE) 1998-08-12 CN disclosed
EP-0856513-A2 Thalidomide analogues from the piperidine-2,6-dione class Grünenthal GmbH (DE) 1998-08-05 EP disclosed
US-5658885-A OLIGOPEPTIDES; ANTICOAGULANTS; ENZYME INHIBITORS; THROMBIN THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-19 US disclosed
EP-0787010-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-06 EP disclosed
WO-1996012499-A1 AMIDINO AND GUANIDINO SUBSTITUTED INHIBITORS OF TRYPSIN-LIKE ENZYMES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-05-02 WO disclosed