SCHEMBL22295453

SCHEMBL22295453

O=C1OC2(c3ccc(O)cc3Oc3cc(O)ccc32)c2ccc(C(O)ON3C(=O)CCC3=O)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 10/20 0.55
▸ 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
▸ ALDH1A1 P00352 2/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ BRCA1 P38398 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ DRD1 P21728 4/20 0.40

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
SCHEMBL29501272 0.78 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL29995636 0.78 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL30064563 0.78 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL164316 0.78 FTO (0.56) FTOMAPTHPGDMEN1HTT
SCHEMBL20073857 0.78 FTO (0.67) FTOMAPTHPGDMEN1HTT
SCHEMBL27833470 0.77 FTO (0.83) FTOMAPTHPGDMEN1HTT
SCHEMBL20339897 0.76 FTO (0.53) FTOMAPTHPGDMEN1HTT
SCHEMBL2019142 0.75 FTO (0.63) FTOMAPTHPGDMEN1HTT
SCHEMBL29579867 0.75 FTO (0.55) FTOMAPTHPGDMEN1HTT
SCHEMBL27645069 0.75 FTO (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3099683-B1 QUINONE-MASKED PROBES AS LABELING REAGENTS FOR CELL UPTAKE MEASUREMENTS PROMEGA CORP (US) 2020-08-05 — — EP disclosed
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