SCHEMBL4444933

SCHEMBL4444933

CCN(CC)C(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 1.00
ALDH1A1 P00352 5/20 1.00
MAPT P10636 3/20 1.00
GAA P10253 1/20 0.76
L3MBTL1 Q9Y468 3/20 0.65
KDM4E B2RXH2 2/20 0.59
AGTR1 P30556 1/20 0.59
SMN1; SMN2 Q16637 2/20 0.58
USP2 O75604 1/20 0.58
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
MLYCD O95822 1/20 0.56
OPRM1 P35372 1/20 0.55
OPRD1 P41143 1/20 0.55
OPRK1 P41145 1/20 0.55
AOC3 Q16853 2/20 0.55
RXFP1 Q9HBX9 1/20 0.55
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54

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
SCHEMBL27523461 0.88 HPGD (0.79) HPGDALDH1A1MAPTGAAL3MBTL1
SCHEMBL72112 0.88 HPGD (0.85) HPGDALDH1A1MAPTGAAL3MBTL1
Hydrochloric Acid SCHEMBL8527466 0.86 HPGD (0.81) HPGDALDH1A1MAPTGAAL3MBTL1
Fluoride SCHEMBL28693456 0.86 HPGD (0.81) HPGDALDH1A1MAPTGAAL3MBTL1
SCHEMBL27989302 0.86 HPGD (0.81) HPGDALDH1A1MAPTGAAL3MBTL1
Hydrochloric Acid SCHEMBL6612619 0.86 HPGD (0.81) HPGDALDH1A1MAPTGAAL3MBTL1
SCHEMBL5703500 0.85 HPGD (0.73) HPGDALDH1A1MAPTGAAL3MBTL1
SCHEMBL28149291 0.85 ALDH1A1 (0.74) HPGDALDH1A1MAPTGAAL3MBTL1
SCHEMBL19915176 0.85 HPGD (0.73) HPGDALDH1A1MAPTGAAL3MBTL1
SCHEMBL6311144 0.85 HPGD (1.00) HPGDALDH1A1MAPTGAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118479977-A Method for preparing amide from tertiary amine 云南民族大学 2024-08-13 CN disclosed
EP-3587406-B1 2-HYDROXY-1-{4-[(4-PHENYLPHENYL)CARBONYL]PIPERAZIN-1-YL}ETHAN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS FATTY ACID SYNTHASE (FASN) INHIBITORS FOR THE TREATMENT OF CANCER FORMA THERAPEUTICS INC (US) 2021-01-27 EP disclosed
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP disclosed
EP-2121621-A1 LXR AND FXR MODULATORS Exelixis, Inc. (US) 2009-11-25 EP disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 WO disclosed
WO-2002040461-A2 AMINOALKOXYBIPHENYL CARBOXAMIDES AS HISTAMINE-3 RECEPTOR LIGANDS AND THEIR THERAPEUTIC APPLICATIONS ABBOTT LABORATORIES (US) 2002-05-23 WO disclosed
EP-0977567-A4 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO INC (US) 2000-02-09 EP disclosed
EP-0977567-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck & Co., Inc. (US) 2000-02-09 EP disclosed
WO-1998010761-A1 CARBAPENEM ANTIBACTERIAL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK & CO., INC. (US) 1998-03-19 WO disclosed