SCHEMBL4044343

SCHEMBL4044343

Cc1cc2c(C)c(COc3ccc(C(=O)O)cc3-c3ccc(C(C)C)cc3)c(C)c(C)c2o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
SLC26A3 P40879 4/20 0.38
SYK P43405 3/20 0.37
RXRA P19793 2/20 0.37
RXRB P28702 2/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
VDR P11473 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
GPR35 Q9HC97 1/20 0.36
PTGER1 P34995 1/20 0.36
HTT P42858 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
CSNK2A2 P19784 1/20 0.35
CSNK2B P67870 1/20 0.35
CSNK2A1 P68400 1/20 0.35

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
SCHEMBL4044393 0.69 GPR35 (0.39) KDM4EGPR35HTTPOLB
SCHEMBL2744483 0.67 GRIK1 (0.54) RXRARXRBMRGPRX4MEN1KMT2A
SCHEMBL29004332 0.64 CSNK2A2 (0.52) RXRARXRBMRGPRX4GPR35MEN1
SCHEMBL9474035 0.61 TSHR (0.60) KDM4ESYKRXRARXRBMRGPRX4
SCHEMBL12566232 0.60 GSK3B (0.44) KDM4ERXRARXRB
SCHEMBL2627825 0.60 RXRA (0.68) RXRARXRBRXRG
SCHEMBL6248649 0.59 LMNA (0.59) HTT
Alcohol SCHEMBL20953809 0.59 RXRA (0.60) RXRARXRBMRGPRX4HTTMEN1
SCHEMBL20021933 0.59 BCL9 (0.53) SYKKMT2ATHRATHRB
SCHEMBL8736663 0.59 CA12 (0.50) KDM4EHTTMEN1KMT2ACSNK2A2

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
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP claimed