SCHEMBL4170417

SCHEMBL4170417

CCOC(=O)CN(CC(=O)OCC)c1cc(Cl)c(Oc2ccc(OC)c(C(=O)NC3CC4CCC3C4)c2)c(Cl)c1.CCOC(=O)CNC(C(=O)OCC)c1cc(Cl)c(Oc2ccc(OC)c(C(=O)c3ccc(Cl)cc3)c2)c(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
EPHX2 P34913 1/20 0.32
ALDH1A1 P00352 2/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL4170419 0.92 POLB (0.41) POLBTDP1MEN1KMT2ACNR2
SCHEMBL3219302 0.89 EPHX2 (0.40) POLBTDP1MEN1KMT2ACNR2
SCHEMBL3219307 0.86 KMT2A (0.42) POLBTDP1MEN1KMT2ACNR2
SCHEMBL3229441 0.83 POLB (0.50) POLBALDH1A1RAB9AMAPTHTT
SCHEMBL3229446 0.79 POLB (0.55) POLBMEN1KMT2AALDH1A1RAB9A
SCHEMBL3227781 0.79 KMT2A (0.41) POLBTDP1MEN1KMT2ACNR2
SCHEMBL3223452 0.77 HSP90AA1 (0.46) POLBTDP1MEN1KMT2AEPHX2
SCHEMBL3223456 0.73 HSP90AA1 (0.48) POLBTDP1MEN1KMT2AEPHX2
SCHEMBL3216075 0.72 THRB (0.36) MEN1KMT2AALDH1A1GAA
SCHEMBL4251171 0.72 TAS1R3 (0.40) POLBTDP1MEN1KMT2ACNR2

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-2079678-A2 SELECTIVE TR-BETA 1 AGONIST Cadila Healthcare Limited (IN) 2009-07-22 EP claimed
WO-2008062469-A2 SELECTIVE TR-BETA 1 AGONIST CADILA HEALTHCARE LIMITED (IN) 2008-05-29 WO claimed