SCHEMBL6551817

SCHEMBL6551817

CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.54
PGR P06401 1/20 0.54
HTR1A P08908 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
PTGS1 P23219 1/20 0.54
PDE4A P27815 1/20 0.54
MAPK1 P28482 1/20 0.54
DRD3 P35462 1/20 0.54
SNCA P37840 1/20 0.54
PDE3A Q14432 1/20 0.54
CYP3A4 P08684 3/20 0.53
ALDH1A1 P00352 3/20 0.53
ALOX15 P16050 3/20 0.53
LMNA P02545 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
HIF1A Q16665 2/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C19 P33261 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL9330371 1.00 MAPT (0.54) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL6551812 1.00 MAPT (0.54) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL3090702 1.00 MAPT (0.54) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL9330335 0.98 MAPT (0.52) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL9330325 0.98 MAPT (0.52) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL4017572 0.84 ALDH1A1 (0.55) MAPTDRD3CYP3A4ALDH1A1ALOX15
SCHEMBL13142549 0.80 KMT2A (0.53) MAPTCYP3A4ALDH1A1ALOX15LMNA
SCHEMBL21744525 0.80 ALDH1A1 (0.50) MAPTDRD3ALDH1A1ALOX15POLB
SCHEMBL1973155 0.80 ALDH1A1 (0.50) MAPTDRD3ALDH1A1ALOX15POLB
SCHEMBL1973157 0.80 ALDH1A1 (0.50) MAPTDRD3ALDH1A1ALOX15POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862575-B1 NOVEL GERANYLGERANYL-DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND RELATED PHARMACEUTICAL COMPOSITIONS BALDACCI LAB SPA (IT) 2004-02-11 EP disclosed
US-6242433-B1 HAVING ANTIPROLIFERATIVE ACTIVITY IN EUKARYOTIC CELLS WITH RESPECT TO THE INHIBITION OF PROTEIN GERANYGERANYLATION. LABORATORI BALDACCI SPA (IT) 2001-06-05 US disclosed
EP-0862575-A1 NOVEL GERANYLGERANYL-DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND RELATED PHARMACEUTICAL COMPOSITIONS LABORATORI BALDACCI Spa (IT) 1998-09-09 EP disclosed