SCHEMBL11698366

SCHEMBL11698366

Cc1c(CP(=O)(c2ccccc2)c2ccccc2)c(C)c(CP(=O)(c2ccccc2)c2ccccc2)c(C)c1CP(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 5/20 0.48
GAA P10253 3/20 0.48
MAPT P10636 2/20 0.48
ALPG P10696 1/20 0.48
ALOX12 P18054 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
USP2 O75604 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.44

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
SCHEMBL20462899 0.96 HTT (0.47) HTTL3MBTL1ALDH1A1GAAMAPT
SCHEMBL21119444 0.89 HTT (0.50) HTTL3MBTL1ALDH1A1GAAMAPT
SCHEMBL23369925 0.81 L3MBTL1 (0.50) HTTL3MBTL1ALDH1A1GAAMAPT
SCHEMBL35192 0.80 HTT (0.53) HTTL3MBTL1ALDH1A1GAAMAPT
SCHEMBL10297870 0.75 HTT (0.48) HTTL3MBTL1ALDH1A1GAAMAPT
SCHEMBL10431512 0.75 HTT (0.61) HTTL3MBTL1ALDH1A1GAAMAPT
SCHEMBL20462898 0.75 CYP3A4 (0.58) HTTL3MBTL1ALDH1A1GAAMAPT
SCHEMBL518265 0.75 CYP3A4 (0.68) HTTL3MBTL1ALDH1A1GAAMAPT
SCHEMBL752826 0.75 HTT (0.66) HTTL3MBTL1ALDH1A1GAAMAPT
SCHEMBL755028 0.75 CYP3A4 (0.68) HTTL3MBTL1ALDH1A1GAAMAPT

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
US-4064104-A Phosphine oxide flame retardants E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-12-20 US disclosed
US-4064104-A Phosphine oxide flame retardants E. I. DU PONT DE NEMOURS AND COMPANY (US) 1977-12-20 US disclosed
US-3975447-A Preparation of aromatic phosphine oxides by reaction of diarylhalophosphine and benzylic halide E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-08-17 US disclosed