SCHEMBL9878722

SCHEMBL9878722

C1=COC=CO1.O=C(O)c1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
HPGD P15428 2/20 0.56
ALOX12 P18054 2/20 0.56
BRCA1 P38398 2/20 0.56
HSD17B10 Q99714 2/20 0.56
CYP2C9 P11712 1/20 0.56
ALOX15 P16050 1/20 0.56
FTO Q9C0B1 10/20 0.55
MAPT P10636 3/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 2/20 0.55
TDP1 Q9NUW8 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
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
SCHEMBL20832 0.95 ALDH1A1 (0.60) ALDH1A1HPGDALOX12BRCA1HSD17B10
Naphthalene SCHEMBL351805 0.91 HPGD (0.59) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL8362713 0.88 HPGD (0.53) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL5697654 0.86 HPGD (0.51) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL635657 0.86 ALDH1A1 (0.51) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL3355910 0.85 HPGD (0.50) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL10777357 0.85 HPGD (0.50) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL10599027 0.85 HPGD (0.50) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL29044412 0.85 ALDH1A1 (0.67) ALDH1A1HPGDALOX12BRCA1HSD17B10
SCHEMBL3730178 0.84 FTO (0.59) ALDH1A1HPGDALOX12BRCA1HSD17B10

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-5066426-A Determination of ligands in biological fluids ABBOTT LABORATORIES (US) 1991-11-19 US disclosed
US-4668640-A Fluorescence polarization immunoassay utilizing substituted carboxyfluoresceins ABBOTT LABORATORIES (US) 1987-05-26 US disclosed