SCHEMBL10599027

SCHEMBL10599027

O=C(CO)N(CO)CO.O=C(O)c1cccc2c1C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
ALDH1A1 P00352 2/20 0.50
ALOX12 P18054 2/20 0.50
BRCA1 P38398 2/20 0.50
HSD17B10 Q99714 2/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
FTO Q9C0B1 10/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
HTT P42858 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP2C19 P33261 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
SMAD3 P84022 1/20 0.49
PRMT1 Q99873 1/20 0.49
ACE2 Q9BYF1 1/20 0.49
TTR P02766 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
SCHEMBL20832 0.89 ALDH1A1 (0.60) HPGDALDH1A1ALOX12BRCA1HSD17B10
Naphthalene SCHEMBL351805 0.85 HPGD (0.59) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL9878722 0.85 ALDH1A1 (0.56) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL8362713 0.82 HPGD (0.53) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL10777357 0.82 HPGD (0.50) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL3355910 0.82 HPGD (0.50) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL5697654 0.80 HPGD (0.51) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL635657 0.80 ALDH1A1 (0.51) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL31110325 0.80 HPGD (0.47) HPGDALDH1A1ALOX12BRCA1HSD17B10
SCHEMBL3730178 0.79 FTO (0.59) HPGDALDH1A1ALOX12BRCA1HSD17B10

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
EP-0297303-A2 Fluorophores for encapsulation into liposomes ABBOTT LABORATORIES (US) 1989-01-04 EP claimed
EP-0297303-A2 Fluorophores for encapsulation into liposomes ABBOTT LABORATORIES (US) 1989-01-04 EP disclosed