SCHEMBL1650598

SCHEMBL1650598

O=C(Nc1ccc2c(c1)C(O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FTO Q9C0B1 5/20 0.45
▸ HTT P42858 2/20 0.42
▸ TSHR P16473 3/20 0.38
▸ ALDH1A1 P00352 5/20 0.37
▸ KLK7 P49862 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ NCOA2 Q15596 1/20 0.36
▸ NCOA1 Q15788 1/20 0.36

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
SCHEMBL29438543 1.00 FTO (0.45) FTOHTTTSHRALDH1A1KLK7
SCHEMBL1032050 0.78 FTO (0.74) FTOHTTALDH1A1MEN1KMT2A
SCHEMBL8571494 0.73 FTO (0.71) FTOHTTALDH1A1MEN1KMT2A
SCHEMBL20353261 0.72 FTO (0.41) FTOHTTALDH1A1NPSR1MAPK1
SCHEMBL18653597 0.72 FTO (0.52) FTOHTTALDH1A1NPSR1MEN1
SCHEMBL6511956 0.69 FTO (0.50) FTOHTTTSHRALDH1A1NPSR1
SCHEMBL5088010 0.68 FTO (0.39) FTOHTTALDH1A1MEN1KMT2A
SCHEMBL8571885 0.68 FTO (0.57) FTOHTTALDH1A1MEN1KMT2A
SCHEMBL24450328 0.67 FTO (0.36) FTOHTTALDH1A1MEN1KMT2A
SCHEMBL8568046 0.66 FTO (0.77) FTOHTTMEN1KMT2AHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106999973-A System and method for discharging edible material 阿甘芳香和精细化工有限公司 2017-08-01 — — CN disclosed
US-7927613-B2 Pharmaceutical co-crystal compositions UNIVERSITY OF SOUTH FLORIDA (US) 2011-04-19 — — US disclosed
US-20100248390-A1 COMPOSITIONS AND METHODS FOR IDENTIFYING LIGANDS OF ODORANT RECEPTORS DUKE UNIVERSITY (US) 2010-09-30 — — US disclosed
US-7790905-B2 Pharmaceutical propylene glycol solvate compositions MCNEIL-PPC, INC. (US) 2010-09-07 — — US disclosed
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