SCHEMBL5728082

SCHEMBL5728082

CC(C)=CCOCCC(c1ccccc1)C(O)(c1ccccc1)c1ccc(SCCN(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.37
CHRM1 P11229 2/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TTR P02766 1/20 0.34
SLC6A4 P31645 3/20 0.34
HRH3 Q9Y5N1 1/20 0.34
POLB P06746 2/20 0.33
LSS P48449 2/20 0.33
KCNH2 Q12809 2/20 0.33
KCNA5 P22460 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.32
RAB9A P51151 1/20 0.32
HTT P42858 2/20 0.32
FDPS P14324 1/20 0.32
HTR2A P28223 2/20 0.31

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
SCHEMBL5739367 0.75 MEN1 (0.36) SERPINE1CHRM1MEN1KMT2ATTR
SCHEMBL9098614 0.68 KDM4E (0.56) CHRM1MEN1KMT2APOLBALDH1A1
SCHEMBL10818771 0.68 KDM4E (0.55) CHRM1MEN1KMT2ASLC6A4HRH3
SCHEMBL1152700 0.68 KDM4E (0.55) CHRM1MEN1KMT2ASLC6A4HRH3
SCHEMBL9487530 0.65 KDM4E (0.57) CHRM1MEN1KMT2ASLC6A4POLB
SCHEMBL5726763 0.65 KDM4E (0.46) POLBALDH1A1KDM4ESMN1; SMN2CHRM3
SCHEMBL5725326 0.65 KDM4E (0.46) MEN1KMT2AHRH3POLBALDH1A1
SCHEMBL10800904 0.65 SLC6A2 (0.41) CHRM1MEN1KMT2ASLC6A4POLB
SCHEMBL11382942 0.64 ALDH1A1 (0.68) MEN1KMT2ATTRSLC6A4KCNH2
SCHEMBL11385791 0.63 SMN1; SMN2 (0.60) CHRM1MEN1KMT2ATTRSLC6A4

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-1235776-B1 TRIPHENYLALKENE DERIVATIVES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS HORMOS MEDICAL CORP (FI) 2006-02-08 EP disclosed