SCHEMBL13637241

SCHEMBL13637241

CC(C)C(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 10/20 0.63
▸ MAPT P10636 5/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ HTT P42858 2/20 0.63
▸ HPGD P15428 2/20 0.63
▸ RECQL P46063 2/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ TDP1 Q9NUW8 2/20 0.63
▸ BLM P54132 1/20 0.63
▸ SMAD3 P84022 1/20 0.63
▸ PRMT1 Q99873 1/20 0.63
▸ ACE2 Q9BYF1 1/20 0.63
▸ LMNA P02545 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ALOX12 P18054 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ GPR55 Q9Y2T6 2/20 0.47
▸ POLB P06746 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
SCHEMBL18116579 0.94 FTO (0.57) FTOMAPTMEN1KMT2AHTT
SCHEMBL19117615 0.92 FTO (0.64) FTOMAPTMEN1KMT2AHTT
SCHEMBL14604845 0.88 FTO (0.66) FTOMAPTMEN1KMT2AHTT
SCHEMBL20833 0.86 FTO (0.67) FTOMAPTMEN1KMT2AHTT
SCHEMBL29613006 0.86 FTO (0.67) FTOMAPTMEN1KMT2AHTT
SCHEMBL29353864 0.86 FTO (0.67) FTOMAPTMEN1KMT2AHTT
SCHEMBL19224760 0.86 FTO (0.58) FTOMAPTMEN1KMT2AHTT
SCHEMBL13662232 0.86 MAPT (0.47) FTOMAPTMEN1KMT2AHTT
Water SCHEMBL25244476 0.85 FTO (0.66) FTOMAPTMEN1KMT2AHTT
SCHEMBL984932 0.85 FTO (0.66) FTOMAPTMEN1KMT2AHTT

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
WO-2009142678-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES PROMEGA CORPORATIN (US) 2009-11-26 — — WO disclosed
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