SCHEMBL10698084

SCHEMBL10698084

C/C=C(/c1ccc(C(C)C)cc1)C(c1ccc(OCCN(C)C)cc1)c1ccc(OP(=O)(ON2CCCCC2)ON2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HRH3 Q9Y5N1 8/20 0.39
SLC6A4 P31645 5/20 0.35
GBA1 P04062 2/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
PSMB2 P49721 1/20 0.35
ESRRB O95718 3/20 0.35
LMNA P02545 1/20 0.34
HTR6 P50406 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
SLC6A2 P23975 1/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 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
SCHEMBL10697675 0.92 HRH3 (0.42) MEN1KMT2AHRH3SLC6A4ESRRB
SCHEMBL9857099 0.85 ESR1 (0.52) MEN1KMT2ASLC6A4GBA1PSMB1
SCHEMBL9857608 0.85 ESR1 (0.52) MEN1KMT2ASLC6A4GBA1PSMB1
SCHEMBL10698397 0.83 GBA1 (0.41) MEN1KMT2AHRH3SLC6A4GBA1
SCHEMBL10698635 0.78 ESRRB (0.52) MEN1KMT2AESRRBLMNAESR1
SCHEMBL10696281 0.78 ESRRB (0.52) MEN1KMT2AESRRBLMNAESR1
SCHEMBL9857875 0.74 ESR1 (0.53) MEN1KMT2ASLC6A4GBA1PSMB1
SCHEMBL9857866 0.72 ESR1 (0.62) MEN1KMT2ASLC6A4GBA1PSMB1
SCHEMBL9857160 0.72 ESR1 (0.62) MEN1KMT2ASLC6A4GBA1PSMB1
SCHEMBL2710225 0.71 CYP2D6 (0.55) MEN1KMT2ASLC6A4GBA1PSMB1

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-0272330-A1 1,1,2-TRIARYL-1-BUTENE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-29 EP disclosed