SCHEMBL17534865

SCHEMBL17534865

O=C(O)CCc1cc2c(cc1O)Oc1cc(O)c(CCC(=O)O)cc1C21OC(=O)c2c(C(=O)O)cccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 2/20 0.38
BRCA1 P38398 2/20 0.38
CYP2C9 P11712 1/20 0.38
ALOX12 P18054 1/20 0.38
HSD17B10 Q99714 1/20 0.38
FTO Q9C0B1 6/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
HTT P42858 3/20 0.37
KMT2A Q03164 3/20 0.37
RECQL P46063 2/20 0.37
BLM P54132 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
CYP2C19 P33261 1/20 0.37
SMAD3 P84022 1/20 0.37
PRMT1 Q99873 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
USP2 O75604 2/20 0.35

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
SCHEMBL5269025 0.85 ALDH1A1 (0.40) HPGDALDH1A1ALOX15BRCA1CYP2C9
SCHEMBL1468956 0.83 ALDH1A1 (0.40) HPGDALDH1A1ALOX15BRCA1CYP2C9
SCHEMBL31034517 0.82 FTO (0.39) HPGDALDH1A1FTOMEN1MAPT
SCHEMBL3655952 0.81 HPGD (0.40) HPGDALDH1A1ALOX15BRCA1CYP2C9
SCHEMBL3983885 0.80 MAPT (0.39) HPGDALDH1A1ALOX15BRCA1CYP2C9
SCHEMBL20832 0.79 ALDH1A1 (0.60) HPGDALDH1A1ALOX15BRCA1CYP2C9
SCHEMBL2859711 0.78 FTO (0.42) HPGDALDH1A1FTOMEN1MAPT
SCHEMBL29358769 0.78 FTO (0.45) HPGDALDH1A1FTOMEN1MAPT
SCHEMBL3146789 0.78 FTO (0.45) HPGDALDH1A1FTOMEN1MAPT
SCHEMBL11031498 0.77 ALOX5 (0.49) HPGDALDH1A1ALOX15BRCA1CYP2C9

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-20180127917-A1 LIGHTWEIGHT, ARC-RATED, DYEABLE FABRICS DRIFIRE LLC (US) 2018-05-10 US disclosed
US-20160060809-A1 LIGHTWEIGHT, ARC-RATED, DYEABLE FABRICS NATIONAL SAFETY APPAREL, INC. 2016-03-03 US disclosed