SCHEMBL28526977

SCHEMBL28526977

CCCCOC(C)(OCCCC)OC(C)Oc1cccc(C(=O)O)c1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RECQL P46063 1/20 0.41
PTPN11 Q06124 4/20 0.37
PPARA Q07869 2/20 0.37
PTPN1 P18031 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PPARG P37231 1/20 0.36
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SLC37A4 O43826 1/20 0.35
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
CHRM2 P08172 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34
MAPT P10636 1/20 0.34
OPRK1 P41145 1/20 0.34

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
SCHEMBL2470059 0.82 SLC37A4 (0.38) KDM4EMEN1KMT2ARECQLPTPN11
SCHEMBL7019536 0.81 SLC37A4 (0.40) KDM4EMEN1KMT2ARECQLPTPN11
SCHEMBL3667886 0.78 ALDH1A1 (0.55) KDM4EMEN1KMT2ARECQLPTPN11
SCHEMBL25406421 0.77 CA12 (0.48) KDM4EMEN1KMT2ARECQLALDH1A1
SCHEMBL6840729 0.76 KMT2A (0.51) KDM4EMEN1KMT2ARECQLPTPN11
SCHEMBL1189460 0.75 ALDH1A1 (0.52) KDM4EMEN1KMT2ARECQLPTPN11
SCHEMBL2470054 0.75 PPARA (0.35) KDM4EMEN1KMT2ARECQLPTPN11
SCHEMBL6561267 0.74 ALDH1A1 (0.59) KDM4EMEN1KMT2ARECQLPTPN11
SCHEMBL6561288 0.74 ALDH1A1 (0.59) KDM4EMEN1KMT2ARECQLPTPN11
SCHEMBL6561120 0.74 ALDH1A1 (0.59) KDM4EMEN1KMT2ARECQLPTPN11

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
CN-107090265-B Re-peelable adhesive and surface protective film 东洋油墨SC控股株式会社 2021-03-12 CN disclosed