SCHEMBL24736659

SCHEMBL24736659

NC(=O)Cc1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 10/20 0.62
▸ MAPT P10636 4/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ HPGD P15428 2/20 0.62
▸ HTT P42858 2/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ RECQL P46063 1/20 0.62
▸ BLM P54132 1/20 0.62
▸ SMAD3 P84022 1/20 0.62
▸ PRMT1 Q99873 1/20 0.62
▸ ACE2 Q9BYF1 1/20 0.62
▸ ALDH1A1 P00352 3/20 0.45
▸ ALOX12 P18054 2/20 0.45
▸ ALOX15 P16050 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ BRCA1 P38398 1/20 0.45
▸ GSTP1 P09211 1/20 0.43

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
SCHEMBL1539101 0.89 FTO (0.63) FTOMAPTMEN1KMT2AHPGD
SCHEMBL23192496 0.88 FTO (0.62) FTOMAPTMEN1KMT2AHPGD
SCHEMBL1949992 0.87 FTO (0.66) FTOMAPTMEN1KMT2AHPGD
SCHEMBL29496646 0.87 FTO (0.66) FTOMAPTMEN1KMT2AHPGD
Bromide SCHEMBL7792912 0.86 FTO (0.64) FTOMAPTMEN1KMT2AHPGD
Hydrochloric Acid SCHEMBL8542650 0.86 FTO (0.64) FTOMAPTMEN1KMT2AHPGD
SCHEMBL8813305 0.85 FTO (0.67) FTOMAPTMEN1KMT2AHPGD
SCHEMBL24403836 0.85 FTO (0.58) FTOMAPTMEN1KMT2AHPGD
SCHEMBL21309677 0.85 FTO (0.58) FTOMAPTMEN1KMT2AHPGD
SCHEMBL20227447 0.85 FTO (0.58) FTOMAPTMEN1KMT2AHPGD

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-2022178638-A1 ANTIBODY RECRUITMENT MOLECULES AND METHODS OF TREATING CANCER USING SAME MCMASTER UNIVERSITY (CA) 2022-09-01 — — WO disclosed
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