SCHEMBL7790296

SCHEMBL7790296

Nc1ccn([C@H]2CC[C@@H](COC(=O)CCCCC(=O)O)O2)c(=O)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
PDE3A Q14432 3/20 0.43
CACNA1F O60840 2/20 0.43
ALB P02768 2/20 0.43
MAPT P10636 2/20 0.43
CACNA1D Q01668 2/20 0.43
CACNA1S Q13698 2/20 0.43
CACNA1C Q13936 2/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
POLG P54098 2/20 0.42
POLB P06746 1/20 0.40
THRB P10828 1/20 0.38
MTOR P42345 1/20 0.38
MDM2 Q00987 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
EP300 Q09472 6/20 0.38
PDE4D Q08499 1/20 0.36
SLC29A1 Q99808 1/20 0.36

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
SCHEMBL7524955 0.94 LMNA (0.45) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL6858205 0.90 L3MBTL1 (0.45) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL10509769 0.90 L3MBTL1 (0.45) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL10512063 0.88 LMNA (0.45) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL9801816 0.85 LMNA (0.47) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL10511431 0.84 ABL1 (0.47) LMNAPDE3ACACNA1FALBMAPT
SCHEMBL16125248 0.84 ALDH1A1 (0.43) EP300
SCHEMBL16125250 0.84 ALDH1A1 (0.43) EP300
SCHEMBL15253074 0.84 ALDH1A1 (0.43) EP300
SCHEMBL15045854 0.84 ALDH1A1 (0.43) EP300

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150718-A1 CONJUGATES OF LIPIDS AND ANTIMICROBIAL OR ANTINEOPLASTIC DRUGS OREGON HEALTH SCIENCES UNIVERSITY (US) 2001-11-07 EP claimed
WO-2000033884-A1 CONJUGATES OF LIPIDS AND ANTIMICROBIAL OR ANTINEOPLASTIC DRUGS OREGON HEALTH SCIENCES UNIVERSITY (US) 2000-06-15 WO claimed