SCHEMBL480306

SCHEMBL480306

CCOC(=O)C1=C(O)[C@@H](Br)CCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
KMT2A Q03164 2/20 0.41
ALOX15 P16050 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.40
TSHR P16473 2/20 0.40
ADORA3 P0DMS8 1/20 0.39
CA12 O43570 3/20 0.35
CA1 P00915 3/20 0.35
CA2 P00918 3/20 0.35
CA7 P43166 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
LMNA P02545 2/20 0.35
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ACHE P22303 1/20 0.34

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
SCHEMBL416292 1.00 KDM4E (0.41) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL234027 0.74 KDM4E (0.55) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL28283233 0.74 KDM4E (0.55) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL21950883 0.73 KDM4E (0.43) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL317949 0.73 MAPT (0.50) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL2620018 0.73 MAPT (0.50) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL20450103 0.73 OAT (0.33)
SCHEMBL5658455 0.71 ALDH1A1 (0.41) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL7566870 0.70 MAPT (0.47) KDM4EMAPTKMT2AALOX15MEN1
SCHEMBL7567655 0.70 MAPT (0.47) KDM4EMAPTKMT2AALOX15MEN1

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-2411362-A2 INDOLE DERIVATIVES GE Healthcare UK Limited (GB) 2012-02-01 EP disclosed
WO-2010109007-A2 INDOLE DERIVATIVES GE HEALTHCARE LIMITED (GB) 2010-09-30 WO disclosed