SCHEMBL17477347

SCHEMBL17477347

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.42
CYP3A4 P08684 4/20 0.40
TSHR P16473 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 4/20 0.38
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.34
TET2 Q6N021 3/20 0.33
TET3 O43151 1/20 0.33
TET1 Q8NFU7 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
Methacrylic Acid SCHEMBL18274937 0.96 CA2 (0.40) CA2CYP3A4TSHRTDP1ATM
SCHEMBL11183541 0.95 CA2 (0.46) CA2CYP3A4TSHRTDP1ATM
SCHEMBL3963117 0.94 CA2 (0.43) CA2CYP3A4TSHRTDP1ATM
Methacrylic Acid SCHEMBL14938426 0.91 CA2 (0.42) CA2CYP3A4TSHRTDP1ATM
SCHEMBL7636494 0.91 TSHR (0.45) CA2CYP3A4TSHRTDP1ATM
SCHEMBL11451455 0.89 TSHR (0.44) CA2CYP3A4TSHRTDP1ATM
SCHEMBL22081 0.89 CA2 (0.47) CA2CYP3A4TSHRTDP1ATM
SCHEMBL20609791 0.89 CA2 (0.47) CA2CYP3A4TSHRTDP1ATM
Ethylene SCHEMBL1759446 0.87 CA2 (0.46) CA2CYP3A4TSHRTDP1ATM
SCHEMBL9408897 0.86 CA2 (0.44) CA2CYP3A4TSHRTDP1ATM

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-3174910-A1 METHODS FOR PRODUCING AND USING AQUEOUS POLYURETHANE/POLYACRYLATE HYBRID DISPERSIONS AND USE OF SAID AQUEOUS POLYURETHANE/POLYACRYLATE HYBRID DISPERSIONS IN COATING AGENTS BASF SE (DE) 2017-06-07 EP disclosed
WO-2016016286-A1 METHODS FOR PRODUCING AND USING AQUEOUS POLYURETHANE/POLYACRYLATE HYBRID DISPERSIONS AND USE OF SAID AQUEOUS POLYURETHANE/POLYACRYLATE HYBRID DISPERSIONS IN COATING AGENTS BASF SE (DE) 2016-02-04 WO disclosed