SCHEMBL6858205

SCHEMBL6858205

CCCCCCCCCCCCCCCC(=O)OC[C@@H]1CC[C@H](n2ccc(N)nc2=O)O1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.45
EP300 Q09472 3/20 0.42
CACNA1F O60840 2/20 0.42
LMNA P02545 2/20 0.42
ALB P02768 2/20 0.42
MAPT P10636 2/20 0.42
CACNA1D Q01668 2/20 0.42
CACNA1S Q13698 2/20 0.42
CACNA1C Q13936 2/20 0.42
PDE3A Q14432 2/20 0.42
NLRP3 Q96P20 1/20 0.42
LPAR1 Q92633 3/20 0.41
LPAR3 Q9UBY5 3/20 0.41
POLG P54098 1/20 0.41
ENPP2 Q13822 2/20 0.40
ABL1 P00519 1/20 0.39
RIN1 Q13671 1/20 0.39

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
SCHEMBL10509769 1.00 L3MBTL1 (0.45) L3MBTL1EP300CACNA1FLMNAALB
SCHEMBL10512063 0.92 LMNA (0.45) L3MBTL1EP300CACNA1FLMNAALB
SCHEMBL7790296 0.90 LMNA (0.43) L3MBTL1EP300CACNA1FLMNAALB
SCHEMBL9801816 0.88 LMNA (0.47) L3MBTL1CACNA1FLMNAALBMAPT
SCHEMBL16125250 0.88 ALDH1A1 (0.43) EP300LPAR1
SCHEMBL16125248 0.88 ALDH1A1 (0.43) EP300LPAR1
SCHEMBL15253074 0.88 ALDH1A1 (0.43) EP300LPAR1
SCHEMBL15253319 0.88 ALDH1A1 (0.43) EP300LPAR1
SCHEMBL15045854 0.88 ALDH1A1 (0.43) EP300LPAR1
SCHEMBL15253320 0.88 ALDH1A1 (0.43) EP300LPAR1

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
US-6787525-B1 METHOD OF TREATING HIV INFECTIONS AND/OR CANCER DISEASES SCHOTT HERBERT (DE) 2004-09-07 US claimed
EP-0311100-A2 Derivatives of dideoxycytidine, their preparation and pharmaceutical use F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP claimed
EP-0311100-A2 Derivatives of dideoxycytidine, their preparation and pharmaceutical use F. HOFFMANN-LA ROCHE AG (CH) 1989-04-12 EP disclosed