SCHEMBL8714832

SCHEMBL8714832

CNCc1c(O)ccc2c1Oc1cc(O)ccc1C21OC(=O)c2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 8/20 0.64
MAPT P10636 5/20 0.64
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
TDP1 Q9NUW8 4/20 0.64
HTT P42858 2/20 0.64
RECQL P46063 2/20 0.64
BLM P54132 2/20 0.64
PRMT1 Q99873 2/20 0.64
ACE2 Q9BYF1 2/20 0.64
HPGD P15428 2/20 0.64
CYP2C19 P33261 1/20 0.64
SMAD3 P84022 1/20 0.64
LMNA P02545 4/20 0.52
POLB P06746 2/20 0.52
GPR55 Q9Y2T6 2/20 0.52
ALOX12 P18054 2/20 0.52
GNG2 P59768 1/20 0.52
GNB1 P62873 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
Hydrochloric Acid SCHEMBL8718064 0.99 FTO (0.63) FTOMAPTMEN1KMT2ATDP1
SCHEMBL10863851 0.90 FTO (0.61) FTOMAPTMEN1KMT2ATDP1
SCHEMBL8417782 0.87 FTO (0.70) FTOMAPTMEN1KMT2ATDP1
SCHEMBL10863708 0.87 FTO (0.57) FTOMAPTMEN1KMT2ATDP1
SCHEMBL3510722 0.86 FTO (0.68) FTOMAPTMEN1KMT2ATDP1
SCHEMBL499201 0.86 FTO (0.68) FTOMAPTMEN1KMT2ATDP1
SCHEMBL4838173 0.86 FTO (0.68) FTOMAPTMEN1KMT2ATDP1
SCHEMBL7973207 0.85 FTO (0.58) FTOMAPTMEN1KMT2ATDP1
SCHEMBL3923505 0.85 FTO (0.58) FTOMAPTMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL9650959 0.85 FTO (0.67) FTOMAPTMEN1KMT2ATDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5750413-A FLUORESCENT MARKERS FOR CYCLOSPORINS ABBOTT LABORATORIES 1998-05-12 US disclosed
US-5489668-A DERIVATIVES LABELED WITH DETECTABLE FLUORESCEIN MOIETY FOR USE AS TRACERS ABBOTT LABORATORIES (US) 1996-02-06 US disclosed
EP-0473961-A2 Immunoassay reagents and method for determining cyclosporine ABBOTT LABORATORIES (US) 1992-03-11 EP disclosed
EP-0201751-A2 4'-aminomethyfluorescein derivatives for use in fluorescence polarization immunoassys ABBOTT LABORATORIES (US) 1986-11-20 EP disclosed