SCHEMBL9251978

SCHEMBL9251978

Nc1cc2c(c3c(=O)c(=O)c13)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.58
MAPT P10636 3/20 0.55
HPGD P15428 2/20 0.55
MEN1 O00255 2/20 0.55
HTT P42858 2/20 0.55
KMT2A Q03164 2/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
BLM P54132 1/20 0.55
SMAD3 P84022 1/20 0.55
PRMT1 Q99873 1/20 0.55
ACE2 Q9BYF1 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
ALOX12 P18054 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP2C9 P11712 1/20 0.53
ALOX15 P16050 1/20 0.53
BRCA1 P38398 1/20 0.53
HSD17B10 Q99714 1/20 0.53
LMNA P02545 2/20 0.38

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
SCHEMBL139173 0.83 FTO (0.65) FTOMAPTHPGDMEN1HTT
SCHEMBL82165 0.81 FTO (0.63) FTOMAPTHPGDMEN1HTT
SCHEMBL6000384 0.80 FTO (0.55) FTOMAPTHPGDMEN1HTT
Hydrochloric Acid SCHEMBL3791930 0.80 FTO (0.61) FTOMAPTHPGDMEN1HTT
SCHEMBL29363014 0.79 FTO (0.76) FTOMAPTHPGDMEN1HTT
SCHEMBL8383527 0.79 FTO (0.76) FTOMAPTHPGDMEN1HTT
SCHEMBL9050420 0.79 FTO (0.54) FTOMAPTHPGDMEN1HTT
SCHEMBL3189664 0.78 FTO (0.66) FTOMAPTHPGDMEN1HTT
SCHEMBL5431416 0.77 FTO (0.57) FTOMAPTHPGDMEN1HTT
SCHEMBL1228265 0.77 ALDH1A1 (0.68) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4585862-A MEDICAL DIAGNOSIS ABBOTT LABORATORIES (US) 1986-04-29 US claimed
US-5391740-A Monitoring therapeutic drug concentration in serum and plasma ABBOTT LABORATORIES (US) 1995-02-21 US disclosed
US-4952691-A FOR BODY FLUIDS ABBOTT LABORATORIES (US) 1990-08-28 US disclosed
US-4585862-A MEDICAL DIAGNOSIS ABBOTT LABORATORIES (US) 1986-04-29 US disclosed