SCHEMBL7647553

SCHEMBL7647553

NCCc1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.56
MAPT P10636 3/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 2/20 0.56
HTT P42858 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP2C19 P33261 1/20 0.56
RECQL P46063 1/20 0.56
BLM P54132 1/20 0.56
SMAD3 P84022 1/20 0.56
PRMT1 Q99873 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
ALDH1A1 P00352 2/20 0.54
ALOX12 P18054 2/20 0.54
CYP2C9 P11712 1/20 0.54
ALOX15 P16050 1/20 0.54
BRCA1 P38398 1/20 0.54
HSD17B10 Q99714 1/20 0.54
LMNA P02545 2/20 0.39

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
SCHEMBL84112 0.90 FTO (0.59) FTOMAPTHPGDMEN1HTT
Hydrochloric Acid SCHEMBL7640824 0.89 FTO (0.57) FTOMAPTHPGDMEN1HTT
SCHEMBL4825622 0.88 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL4743773 0.86 FTO (0.60) FTOMAPTHPGDMEN1HTT
SCHEMBL2314510 0.86 FTO (0.60) FTOMAPTHPGDMEN1HTT
SCHEMBL4824384 0.86 FTO (0.54) FTOMAPTHPGDMEN1HTT
SCHEMBL622479 0.86 FTO (0.54) FTOMAPTHPGDMEN1HTT
SCHEMBL16116120 0.86 FTO (0.54) FTOMAPTHPGDMEN1HTT
SCHEMBL2184643 0.85 FTO (0.59) FTOMAPTHPGDMEN1HTT
SCHEMBL336896 0.85 FTO (0.59) FTOMAPTHPGDMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6472227-B1 A FLUORESCEIN MOIETY IS INCLUDED IN THE TRACER, WHILE A POLY(AMINO ACID) FORMS A PART OF THE IMMUNOGEN FOR DETERMINING THE AMOUNT OF BARBITURATE IN FLUIDS, ESPECIALLY BIOLOGICAL FLUIDS SUCH AS SERUM, PLASMA OR URINE ABBOTT LABORATORIES 2002-10-29 US disclosed
EP-0457213-B1 Barbiturate assay, tracers, immunogens, antibodies and kit ABBOTT LAB (US) 1997-07-23 EP disclosed
US-5463027-A Fluorescence polarazation immunoassay for tetrahydrocannabinoids ABBOTT LABORATORIES (US) 1995-10-31 US disclosed
US-5264373-A Fluorescence polarization immunoassay for tetrahydrocannabinoids ABBOTT LABORATORIES (US) 1993-11-23 US disclosed
US-5144030-A Fluorescene polarization immunoassay for tetrahydrocannabinoids ABBOTT LABORATORIES (US) 1992-09-01 US disclosed
EP-0457213-A2 Barbiturate assay, tracers, immunogens, antibodies and kit ABBOTT LABORATORIES (US) 1991-11-21 EP disclosed