SCHEMBL2217025

SCHEMBL2217025

O=C(O)CCC(C(=O)O)c1cc(Cl)ncc1Cl

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.34
FFAR1 O14842 2/20 0.34
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP12 P39900 2/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
CPB2 Q96IY4 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
CPN1 P15169 1/20 0.33
TET2 Q6N021 3/20 0.32
KDM4A O75164 2/20 0.32
KDM4C Q9H3R0 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
TET3 O43151 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL2217031 0.76 GABBR2 (0.38) LMNAL3MBTL1CYP3A4CYP2D6NFKB1
SCHEMBL939692 0.68 FABP4 (0.39) KDM4ECA2LMNAL3MBTL1NAPRT
SCHEMBL9722631 0.65 CYP3A4 (0.36) KDM4EHPGDKDM4CLMNAL3MBTL1
SCHEMBL940270 0.65 AKR1B1 (0.38) KDM4ECA2LMNAL3MBTL1NAPRT
SCHEMBL28086991 0.64 CYP2C9 (0.51) FOLH1LMNAL3MBTL1ALDH1A1POLB
SCHEMBL2217027 0.64 MEN1 (0.32) ALDH1A1MAPK1NAPRT
SCHEMBL2737360 0.63 GABRA1 (0.37) CA1CA2LMNA
SCHEMBL10917742 0.63 ALDH1A1 (0.47) FOLH1CPB2KDM4EHPGDCPN1
SCHEMBL28107339 0.63 CYP1A2 (0.48) HPGDL3MBTL1ALDH1A1POLBCYP3A4
SCHEMBL8410187 0.62 FFAR1 (0.44) FFAR1AKR1C3AKR1C2LMNAL3MBTL1

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-1709046-B1 P38 KINASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2011-07-27 EP disclosed