SCHEMBL4170419

SCHEMBL4170419

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
CNR2 P34972 2/20 0.38
CNR1 P21554 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ALDH1A1 P00352 3/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
GAA P10253 1/20 0.35
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
HSP90AA1 P07900 1/20 0.34
EPHX2 P34913 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
SCHEMBL3219307 0.94 KMT2A (0.42) POLBTDP1KMT2AMEN1CNR2
SCHEMBL4170417 0.92 POLB (0.34) POLBTDP1KMT2AMEN1CNR2
SCHEMBL3229446 0.86 POLB (0.55) POLBKMT2AMEN1ALDH1A1RAB9A
SCHEMBL3227781 0.86 KMT2A (0.41) POLBTDP1KMT2AMEN1CNR2
SCHEMBL3223456 0.80 HSP90AA1 (0.48) POLBTDP1KMT2AMEN1ALDH1A1
SCHEMBL4251171 0.78 TAS1R3 (0.40) POLBTDP1KMT2AMEN1CNR2
SCHEMBL3219302 0.78 EPHX2 (0.40) POLBTDP1KMT2AMEN1CNR2
SCHEMBL3223065 0.78 POLB (0.51) POLBKMT2AALDH1A1RAB9AMAPT
SCHEMBL3232905 0.77 POLB (0.52) POLBKMT2AMEN1ALDH1A1RAB9A
SCHEMBL3959135 0.77 KMT2A (0.38) POLBTDP1KMT2AMEN1CNR2

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