SCHEMBL5164972

SCHEMBL5164972

C=C(CC(CC)CCCC)C(=O)O.C=C(CCC(C)CC(C)(C)C)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.37
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.32
CA1 P00915 1/20 0.30
RECQL P46063 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
SCHEMBL5164980 0.85 CYP3A4 (0.36) CA2TSHRCYP3A4ATMTDP1
SCHEMBL11183541 0.82 CA2 (0.46) CA2TSHRCYP3A4ATMTDP1
SCHEMBL2593852 0.82 TET2 (0.38)
SCHEMBL22081 0.82 CA2 (0.47) CA2TSHRCYP3A4ATMTDP1
SCHEMBL20609791 0.82 CA2 (0.47) CA2TSHRCYP3A4ATMTDP1
SCHEMBL7636494 0.81 TSHR (0.45) CA2TSHRCYP3A4ATMTDP1
Ethylene SCHEMBL1759446 0.80 CA2 (0.46) CA2TSHRCYP3A4ATMTDP1
SCHEMBL11451455 0.79 TSHR (0.44) CA2TSHRCYP3A4ATMTDP1
SCHEMBL9408897 0.79 CA2 (0.44) CA2TSHRCYP3A4ATMTDP1
Methacrylic Acid SCHEMBL14938426 0.78 CA2 (0.42) CA2TSHRCYP3A4ATMTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1476509-B1 SELF-POLISHING ANTIFOULING PAINT JOTUN AS (NO) 2007-04-11 EP claimed