SCHEMBL10697675

SCHEMBL10697675

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

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.42
SLC6A4 P31645 4/20 0.42
ESRRG P62508 5/20 0.38
ESRRB O95718 1/20 0.37
UTS2R Q9UKP6 3/20 0.37
ESR1 P03372 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
LSS P48449 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL10698084 0.92 MEN1 (0.39) HRH3SLC6A4ESRRBESR1MEN1
SCHEMBL9857875 0.82 ESR1 (0.53) SLC6A4ESRRGESRRBESR1HDAC6
SCHEMBL28421381 0.78 ESRRG (0.53) SLC6A4ESRRGESRRBESR1MEN1
SCHEMBL9857099 0.77 ESR1 (0.52) SLC6A4ESRRGESRRBESR1HDAC6
SCHEMBL9857608 0.77 ESR1 (0.52) SLC6A4ESRRGESRRBESR1HDAC6
SCHEMBL10698397 0.75 GBA1 (0.41) HRH3SLC6A4ESRRGESRRBESR1
SCHEMBL11112652 0.73 CHRNB2 (0.48) SLC6A4ESRRGESRRBESR1MEN1
SCHEMBL2710225 0.70 CYP2D6 (0.55) SLC6A4ESRRGESRRBESR1MEN1
SCHEMBL7929087 0.70 CYP2D6 (0.55) SLC6A4ESRRGESRRBESR1MEN1
SCHEMBL8732737 0.70 CYP2D6 (0.55) SLC6A4ESRRGESRRBESR1MEN1

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