SCHEMBL27475520

SCHEMBL27475520

O=C(O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21.[NaH]

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FTO Q9C0B1 10/20 0.67
MAPT P10636 3/20 0.67
HPGD P15428 2/20 0.67
MEN1 O00255 2/20 0.67
HTT P42858 2/20 0.67
KMT2A Q03164 2/20 0.67
CYP2C19 P33261 1/20 0.67
RECQL P46063 1/20 0.67
BLM P54132 1/20 0.67
SMAD3 P84022 1/20 0.67
PRMT1 Q99873 1/20 0.67
ACE2 Q9BYF1 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
ALOX12 P18054 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2C9 P11712 1/20 0.51
ALOX15 P16050 1/20 0.51
BRCA1 P38398 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KCNH2 Q12809 1/20 0.47

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
SCHEMBL29996062 0.99 FTO (0.69) FTOMAPTHPGDMEN1HTT
SCHEMBL29358729 0.99 FTO (0.69) FTOMAPTHPGDMEN1HTT
SCHEMBL20095 0.99 FTO (0.69) FTOMAPTHPGDMEN1HTT
SCHEMBL29838678 0.99 FTO (0.69) FTOMAPTHPGDMEN1HTT
Water SCHEMBL25247555 0.97 FTO (0.67) FTOMAPTHPGDMEN1HTT
SCHEMBL28092031 0.97 FTO (0.67) FTOMAPTHPGDMEN1HTT
SCHEMBL23158785 0.97 FTO (0.67) FTOMAPTHPGDMEN1HTT
Ammonia Solution, Strong SCHEMBL29083296 0.97 FTO (0.67) FTOMAPTHPGDMEN1HTT
Water SCHEMBL29653557 0.97 FTO (0.67) FTOMAPTHPGDMEN1HTT
Oxalic Acid SCHEMBL27598167 0.96 FTO (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1161155-C Use of inorganic aerogels in pharmacy ���Ͽع����޹�˾ 2004-08-11 CN disclosed
CN-1175904-A Use of inorganic aerogels in pharmacy HOECHST AG (DE) 1998-03-11 CN disclosed