SCHEMBL13328833

SCHEMBL13328833

C=CC(=O)OCCNC(=O)OC(COC)COc1ccccc1C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL13328807 0.95 ALDH1A1 (0.44) ALDH1A1KMT2AKDM4EMEN1THRB
SCHEMBL13328796 0.94 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EMEN1THRB
SCHEMBL20924819 0.90 ALDH1A1 (0.42) ALDH1A1KMT2AKDM4EMEN1TDP1
SCHEMBL17213630 0.90 ALDH1A1 (0.43) ALDH1A1KMT2AKDM4EMEN1THRB
SCHEMBL13328806 0.89 ALDH1A1 (0.40) ALDH1A1KMT2AKDM4EMEN1THRB
SCHEMBL13328810 0.88 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1THRBTDP1
SCHEMBL17213636 0.86 MTNR1A (0.45) KMT2AKDM4ECYP1A2THRB
SCHEMBL13328809 0.85 TDP1 (0.38) ALDH1A1KMT2AKDM4EMEN1THRB
SCHEMBL30341925 0.83 TSHR (0.44) ALDH1A1KMT2ACYP1A2MEN1THRB
SCHEMBL17213634 0.82 HTT (0.45) ALDH1A1KMT2AKDM4EMEN1THRB

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
US-8410210-B2 Fluorine-containing novolac resin, fluorine-containing surfactant, fluorine-containing surfactant composition, and resin composition DIC CORPORATION (JP) 2013-04-02 US disclosed
US-20100113678-A1 FLUORINE-CONTAINING NOVOLAC RESIN, FLUORINE-CONTAINING SURFACTANT, FLUORINE-CONTAINING SURFACTANT COMPOSITION, AND RESIN COMPOSITION DIC CORPORATION (JP) 2010-05-06 US disclosed