SCHEMBL5157975

SCHEMBL5157975

CCCCC(CC)CC(CCCC)(CC(CC)CCCC)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.49
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 4/20 0.41
TSHR P16473 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
ATM Q13315 1/20 0.41
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CA1 P00915 3/20 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
SCHEMBL2440934 0.93 CA2 (0.46) CA2ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL141910 0.93 CA2 (0.46) CA2ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL2902801 0.92 CA2 (0.45) CA2ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL44235 0.90 CA2 (0.47) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL11185505 0.90 CA2 (0.46) CA2ALDH1A1MAPK1CYP3A4TSHR
Adipic Acid SCHEMBL9157615 0.89 CA2 (0.46) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL10503904 0.89 CA2 (0.46) CA2ALDH1A1CYP3A4TSHRTDP1
SCHEMBL1702351 0.88 CA2 (0.49) CA2ALDH1A1MAPK1CYP3A4TSHR
SCHEMBL7204192 0.88 GPR84 (0.43) CA2
SCHEMBL495135 0.88 GPR84 (0.46) CA2ALDH1A1CYP3A4TSHRTDP1

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-20070179211-A1 Energy-curable intaglio printing SUN CHEMICAL CORPORATIN (US) 2007-08-02 US disclosed
EP-1751241-A1 ENERGY-CURABLE INTAGLIO PRINTING INKS Sun Chemical Corporation (US) 2007-02-14 EP disclosed
WO-2005097927-A1 ENERGY-CURABLE INTAGLIO PRINTING INKS SUN CHEMICAL CORPORATION (US) 2005-10-20 WO disclosed