SCHEMBL27853887

SCHEMBL27853887

CCCCCCCCCCCCCCCCCCOC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 7/20 0.52
▸ MAPT P10636 3/20 0.52
▸ CYP2C19 P33261 2/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ KMT2A Q03164 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ BLM P54132 1/20 0.52
▸ SMAD3 P84022 1/20 0.52
▸ PRMT1 Q99873 1/20 0.52
▸ ACE2 Q9BYF1 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ ESR1 P03372 4/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NR1H2 P55055 1/20 0.44

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
SCHEMBL17956693 0.92 FTO (0.56) FTOMAPTCYP2C19MEN1HTT
SCHEMBL10978538 0.85 CYP3A4 (0.53) FTOMAPTCYP2C19MEN1HTT
SCHEMBL10981075 0.85 CYP3A4 (0.53) FTOMAPTCYP2C19MEN1HTT
SCHEMBL10975365 0.85 CYP3A4 (0.53) FTOMAPTCYP2C19MEN1HTT
SCHEMBL10977728 0.85 CYP3A4 (0.53) FTOMAPTCYP2C19MEN1HTT
SCHEMBL13593607 0.85 FTO (0.55) FTOMAPTCYP2C19MEN1HTT
SCHEMBL17956700 0.85 FTO (0.57) FTOMAPTCYP2C19MEN1HTT
SCHEMBL3827795 0.83 FTO (0.55) FTOMAPTCYP2C19MEN1HTT
SCHEMBL27576029 0.82 FTO (0.62) FTOMAPTCYP2C19MEN1HTT
SCHEMBL23604310 0.82 FTO (0.54) FTOMAPTCYP2C19MEN1HTT

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
CN-102471078-A Silica-based particle composition NALCO CO 2012-05-23 — — CN disclosed
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