SCHEMBL15211525

SCHEMBL15211525

CC(=O)O[C@H]1c2cc(Br)c(O)cc2OC1C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
PTPN1 P18031 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GABRA1 P14867 1/20 0.30
GABRB2 P47870 1/20 0.30

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
SCHEMBL15211233 0.83 POLB (0.34) POLBPTPN1HTR2CMEN1KMT2A
SCHEMBL15211128 0.78 POLB (0.40) POLBMEN1KMT2AGABRA1GABRB2
SCHEMBL15211580 0.77 POLB (0.39) POLBMEN1KMT2AGABRA1GABRB2
SCHEMBL435247 0.77 POLB (0.39) POLBMEN1KMT2AGABRA1GABRB2
SCHEMBL530687 0.77 POLB (0.39) POLBMEN1KMT2AGABRA1GABRB2
SCHEMBL1707736 0.72 POLB (0.38) POLBMEN1KMT2A
SCHEMBL15211457 0.71 HDAC8 (0.41) POLBMEN1KMT2A
SCHEMBL1708186 0.70 MAPT (0.42) POLBMEN1KMT2A
SCHEMBL1707740 0.65 HSD11B1 (0.41) POLBGABRA1GABRB2
SCHEMBL27213501 0.61 POLB (0.38) POLBMEN1KMT2AGABRA1GABRB2

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-2838891-A1 AROMATIC RING COMPOUND Takeda Pharmaceutical Company Limited (JP) 2015-02-25 EP disclosed
WO-2013125732-A1 AROMATIC RING COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-29 WO disclosed