SCHEMBL11458252

SCHEMBL11458252

O=P(OCl)(OCCCl)OOc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.37
SRC P12931 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32

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
SCHEMBL16163141 0.82 SRC (0.40) PKMSRCL3MBTL1TDP1MEN1
SCHEMBL125291 0.79 ALDH1A1 (0.54) ALDH1A1PKMSRCL3MBTL1TDP1
SCHEMBL11308706 0.79 ALDH1A1 (0.54) ALDH1A1PKMSRCL3MBTL1TDP1
Triphenyl Phosphate SCHEMBL5993809 0.78 ALDH1A1 (0.58) ALDH1A1PKMSRCL3MBTL1TDP1
SCHEMBL9634847 0.74 L3MBTL1 (0.50) ALDH1A1PKMSRCL3MBTL1TDP1
Methylene Chloride SCHEMBL29220062 0.73 SRC (0.48) SRCL3MBTL1TDP1MEN1HTT
SCHEMBL31332475 0.73 SRC (0.52) SRCL3MBTL1TDP1MEN1HTT
SCHEMBL28941447 0.73 SRC (0.52) SRCL3MBTL1TDP1MEN1HTT
SCHEMBL11449335 0.73 PKM (0.62) ALDH1A1PKMMEN1KMT2ACYP2C9
SCHEMBL5850544 0.72 ALDH1A1 (0.74) ALDH1A1

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
US-4231781-A Halophenoxy-alkoxy phosphonates and thiophosphonates GAF CORPORATION (US) 1980-11-04 US disclosed