SCHEMBL5751604

SCHEMBL5751604

CCOC(OCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
SLC1A3 P43003 2/20 0.53
SLC1A2 P43004 2/20 0.53
SLC1A1 P43005 2/20 0.53
CYP1A2 P05177 2/20 0.53
MEN1 O00255 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
PPARA Q07869 3/20 0.50
PPARG P37231 3/20 0.50
PPARD Q03181 1/20 0.50
ALDH1A1 P00352 4/20 0.48
FFAR1 O14842 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPK1 P28482 1/20 0.43
SLC6A2 P23975 1/20 0.43

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
SCHEMBL8553178 0.92 SLC1A1 (0.59) KMT2ASLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL5038179 0.88 SLC1A3 (0.49) KMT2ASLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL27358218 0.86 L3MBTL1 (0.52) KMT2ASLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL8668873 0.82 PPARG (0.46) PPARAPPARGPPARDALDH1A1FFAR1
SCHEMBL3643943 0.81 ALDH1A1 (0.57) KMT2ASLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL28293824 0.78 PTGS2 (0.45) CYP1A2CYP2C9CYP2C19PPARAPPARG
SCHEMBL2384187 0.78 SLC1A3 (0.53) KMT2ASLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL1273202 0.78 SLC1A3 (0.53) KMT2ASLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL15528161 0.78 SLC1A3 (0.53) KMT2ASLC1A3SLC1A2SLC1A1CYP1A2
SCHEMBL20576999 0.77 SLC1A2 (0.61) KMT2ASLC1A3SLC1A2SLC1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100441579-C Tetrahydronaphthyridine derivatives as cholesteryl ester transfer protein inhibitors TANABE SEIYAKU CO (JP) 2008-12-10 CN disclosed
CN-1938301-A Tetrahydronaphthyridine derivatives as cholesteryl ester transfer protein inhibitors TANABE SEIYAKU CO (JP) 2007-03-28 CN disclosed
EP-1732924-A2 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 2006-12-20 EP disclosed
WO-2005095395-A2 TETRAHYDRONAPHTHYRIDINE DERIVATIVES AS CHOLESTERYL ESTER TRANSFER PROTEIN INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 2005-10-13 WO disclosed