SCHEMBL5040557

SCHEMBL5040557

COc1ccc(CNCCNCCNCCNCCNCc2ccc(OC)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.81
GAA P10253 2/20 0.62
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
ATM Q13315 1/20 0.58
MAPK1 P28482 2/20 0.57
NPSR1 Q6W5P4 2/20 0.57
SCN8A Q9UQD0 1/20 0.57
MITF O75030 1/20 0.57
LMNA P02545 1/20 0.57
CNR1 P21554 1/20 0.57
CNR2 P34972 1/20 0.57
GPR35 Q9HC97 1/20 0.57
GPR55 Q9Y2T6 1/20 0.57
XBP1 P17861 1/20 0.57
HTT P42858 1/20 0.57
CA12 O43570 1/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
CA4 P22748 1/20 0.57

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
SCHEMBL4914700 1.00 CHRM2 (0.81) CHRM2GAAMEN1KMT2AATM
SCHEMBL4919379 1.00 CHRM2 (0.81) CHRM2GAAMEN1KMT2AATM
SCHEMBL2938432 0.98 CHRM2 (0.78) CHRM2GAAMEN1KMT2AATM
SCHEMBL16994624 0.91 CHRM2 (0.74) CHRM2GAAMEN1KMT2AATM
SCHEMBL4920100 0.91 CHRM2 (0.74) CHRM2GAAMEN1KMT2AATM
SCHEMBL4916759 0.91 CHRM2 (0.74) CHRM2GAAMEN1KMT2AATM
SCHEMBL4918916 0.91 CHRM2 (0.74) CHRM2GAAMEN1KMT2AATM
SCHEMBL2930997 0.89 CHRM2 (0.85) CHRM2GAAMEN1KMT2AATM
SCHEMBL22839742 0.89 CHRM2 (0.92) CHRM2GAAMEN1KMT2AATM
SCHEMBL121529 0.89 CHRM2 (0.70) CHRM2GAAHTTALDH1A1PKM

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-1914254-B1 Crosslinkers for improving stability of polyurethane foams EVONIK DEGUSSA GMBH (DE) 2017-08-23 EP disclosed
EP-1914254-A1 Crosslinkers for improving stability of polyurethane foams Air Products and Chemicals, Inc. (US) 2008-04-23 EP disclosed