SCHEMBL4632262

SCHEMBL4632262

O=C(O)Oc1ccc2c(c1)Oc1cc(O)ccc1C21OC(=O)c2c1ccc(Cl)c2Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.49
LMNA P02545 2/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 2/20 0.48
ALOX12 P18054 2/20 0.48
CYP2C9 P11712 1/20 0.48
ALOX15 P16050 1/20 0.48
BRCA1 P38398 1/20 0.48
HSD17B10 Q99714 1/20 0.48
FTO Q9C0B1 9/20 0.47
SMAD3 P84022 2/20 0.47
CYP2C19 P33261 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
PRMT1 Q99873 1/20 0.47
ACE2 Q9BYF1 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
SCHEMBL1703820 0.93 MAPT (0.59) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL273427 0.88 FTO (0.59) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL284851 0.87 MAPT (0.65) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL9474742 0.87 FTO (0.58) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL988945 0.85 ALDH1A1 (0.54) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5694289 0.84 FTO (0.46) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL9844359 0.81 FTO (0.43) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL5174468 0.81 FTO (0.75) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL15128906 0.80 FTO (0.63) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL17515090 0.79 ALDH1A1 (0.55) MEN1KMT2AMAPTALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924709-A1 METHODS FOR DETERMINING PROBABILITY OF AN ADVERSE OR FAVORABLE REACTION TO A NIACIN RECEPTOR AGONIST Arena Pharmaceuticals, Inc. (US) 2008-05-28 EP disclosed
WO-2007021744-A1 METHODS FOR DETERMINING PROBABILITY OF AN ADVERSE OR FAVORABLE REACTION TO A NIACIN RECEPTOR AGONIST ARENA PHARMACEUTICALS, INC. (US) 2007-02-22 WO disclosed