SCHEMBL8070404

SCHEMBL8070404

[CH2]CCCCc1ccc(Br)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 5/20 0.35
ALOX15 P16050 5/20 0.35
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
KDM1A O60341 2/20 0.33
KCNH2 Q12809 2/20 0.33
KDM1B Q8NB78 1/20 0.33
PARP1 P09874 1/20 0.31
SKP2 Q13309 1/20 0.30

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
SCHEMBL14555727 0.88 IGF1R (0.40) IGF1RALOX15HDAC1HDAC8KDM1A
SCHEMBL29331986 0.88 IGF1R (0.40) IGF1RALOX15HDAC1HDAC8KDM1A
SCHEMBL8084327 0.86 KDM1A (0.35) KDM1AKCNH2KDM1BPARP1
SCHEMBL6649880 0.82 DAO (0.41) IGF1RALOX15HDAC1HDAC8
SCHEMBL5866466 0.81 HTR2A (0.48) SKP2
SCHEMBL17295168 0.81 KDM1A (0.34) IGF1RALOX15HDAC1HDAC8KDM1A
SCHEMBL10412776 0.81 IGF1R (0.38) IGF1RALOX15HDAC1HDAC8SKP2
SCHEMBL9579438 0.81 DAO (0.40) IGF1RALOX15HDAC1HDAC8
SCHEMBL7788951 0.80 HTR2A (0.52)
SCHEMBL13564077 0.80 HTR2A (0.52)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0655456-B1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMA CO LTD (JP) 2000-09-06 EP disclosed
US-5624918-A Phosphonic diester derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1997-04-29 US disclosed
EP-0655456-A1 PHOSPHONIC DIESTER DERIVATIVE OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1995-05-31 EP disclosed