SCHEMBL6032890

SCHEMBL6032890

CCN(CC)C(C)Oc1ccc(/C(=C(\Cl)c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.56
EBP Q15125 5/20 0.56
KMT2A Q03164 5/20 0.56
MAPT P10636 5/20 0.56
ADORA3 P0DMS8 4/20 0.56
KCNH2 Q12809 4/20 0.56
ADRA2A P08913 4/20 0.56
SIGMAR1 Q99720 3/20 0.56
CHRM2 P08172 3/20 0.56
CHRM1 P11229 3/20 0.56
PTGS1 P23219 3/20 0.56
SLC6A2 P23975 3/20 0.56
SLC6A4 P31645 3/20 0.56
DRD3 P35462 3/20 0.56
HTR6 P50406 3/20 0.56
SLC6A3 Q01959 3/20 0.56
KDM4E B2RXH2 3/20 0.56
CYP2D6 P10635 3/20 0.56
MEN1 O00255 3/20 0.56
ADRA2B P18089 3/20 0.56

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
SCHEMBL15570846 1.00 ESR1 (0.56) ESR1EBPKMT2AMAPTADORA3
SCHEMBL6768538 0.95 ESR1 (0.52) ESR1EBPKMT2AMAPTADORA3
SCHEMBL4300358 0.79 KMT2A (0.61) KMT2AMAPTKCNH2ADRA2AADRA2B
SCHEMBL7602287 0.79 ESR1 (0.46) ESR1EBPKMT2AMAPTADORA3
SCHEMBL7602301 0.79 ESR1 (0.46) ESR1EBPKMT2AMAPTADORA3
SCHEMBL27467107 0.79 ESR1 (0.49) ESR1EBPKMT2AMAPTADORA3
SCHEMBL6901842 0.78 ESR1 (0.61) ESR1EBPKMT2AMAPTADORA3
SCHEMBL10429856 0.78 ADRA2A (0.43) KCNH2ADRA2APTGS1SLC6A4KDM4E
SCHEMBL27548651 0.78 ESR1 (0.64) ESR1EBPKMT2AMAPTADORA3
SCHEMBL27485629 0.78 ESR1 (0.64) ESR1EBPKMT2AMAPTADORA3

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-1660072-A2 MEANS AND METHODS FOR TREATING A DISEASE WHICH IS ASSOCIATED WITH AN EXCESS TRANSPORT OF HYALURONAN ACROSS A LIPID BILAYER Universitätsklinikum Münster (DE) 2006-05-31 EP disclosed
WO-2005013947-A2 MEANS AND METHODS FOR TREATING A DISEASE WHICH IS ASSOCIATED WITH AN EXCESS TRANSPORT OF HYALURONAN ACROSS A LIPID BILAYER Universitätsklinikum Münster (DE) 2005-02-17 WO disclosed