SCHEMBL2835190

SCHEMBL2835190

CCN(CC)N(CC)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.35
LMNA P02545 2/20 0.31
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
ALDH1A1 P00352 1/20 0.30
GLA P06280 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL5784743 0.84 FFAR3 (0.41) FFAR3LMNAHDAC3HDAC1HDAC2
SCHEMBL2461092 0.81 CA12 (0.36) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL11649571 0.79 FFAR3 (0.37) FFAR3LMNAHDAC3HDAC1HDAC2
SCHEMBL2465652 0.77
SCHEMBL2077132 0.73 FFAR3 (0.37) FFAR3LMNAHDAC3HDAC1HDAC2
SCHEMBL6223657 0.71 FFAR3 (0.35) FFAR3LMNAHDAC3HDAC1HDAC2
SCHEMBL28947878 0.70 CHRM1 (0.33) FFAR3ALDH1A1
SCHEMBL633119 0.69 TDP1 (0.32)
SCHEMBL1903729 0.69 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL23295107 0.69 FFAR3 (0.35) FFAR3LMNAALDH1A1

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
WO-2010030739-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-18 WO disclosed
WO-2010030730-A1 POLYETHYLENE GLYCOL LIPID CONJUGATES AND USES THEREOF ABBOTT LABORATORIES (US) 2010-03-18 WO disclosed
WO-2009129385-A1 CATIONIC LIPIDS AND USES THEREOF ABBOTT LABORATORIES (US) 2009-10-22 WO disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed