SCHEMBL13328810

SCHEMBL13328810

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.36
NR1I2 O75469 1/20 0.36
LMNA P02545 1/20 0.36
CHRM2 P08172 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADRA2A P08913 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
HTR2B P41595 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36

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 0.89 ALDH1A1 (0.44) ALDH1A1THRBTDP1MEN1KMT2A
SCHEMBL13328796 0.88 ALDH1A1 (0.43) ALDH1A1THRBTDP1MEN1KMT2A
SCHEMBL13328833 0.88 ALDH1A1 (0.43) ALDH1A1THRBTDP1MEN1KMT2A
SCHEMBL20924819 0.84 ALDH1A1 (0.42) ALDH1A1TDP1MEN1MAPTKMT2A
SCHEMBL17213630 0.84 ALDH1A1 (0.43) ALDH1A1THRBTDP1MEN1MAPT
SCHEMBL13328806 0.83 ALDH1A1 (0.40) ALDH1A1THRBTDP1MEN1KMT2A
SCHEMBL13328809 0.81 TDP1 (0.38) ALDH1A1THRBTDP1TSHRMEN1
SCHEMBL17213636 0.81 MTNR1A (0.45) THRBNPSR1LMNAKMT2ANPC1
SCHEMBL14907309 0.80 THRB (0.46) THRBTSHRMEN1CYP3A4KMT2A
SCHEMBL13017959 0.78 AR (0.43) ALDH1A1THRBTDP1TSHRMEN1

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