SCHEMBL11049417

SCHEMBL11049417

CCCCO[PH](=O)Cc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TTR P02766 1/20 0.55
PPOX P50336 1/20 0.55
FFAR1 O14842 2/20 0.40
HTR2A P28223 3/20 0.38
SLC6A4 P31645 3/20 0.38
KCNH2 Q12809 3/20 0.38
LMNA P02545 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
MAPT P10636 3/20 0.37
CCR6 P51684 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL11047739 0.92 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11043256 0.88 TDP1 (0.59) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11053019 0.84 MEN1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11052290 0.83 MEN1 (0.56) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11048553 0.80 TDP1 (0.57) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10692395 0.80 TDP1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11262239 0.80 TDP1 (0.67) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11361554 0.80 TDP1 (0.62) TDP1MEN1KMT2ATTRPPOX
SCHEMBL11217304 0.80 TDP1 (0.64) TDP1MEN1KMT2ATTRPPOX
SCHEMBL10554944 0.79 MEN1 (0.69) TDP1MEN1KMT2ATTRPPOX

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-0043801-B1 2-SUBSTITUTED 5-PHENOXY-PHENYL-PHOSPHINIC-ACID DERIVATIVES WITH HERBICIDAL ACTIVITY, PROCESS FOR PREPARING THEM, HERBICIDAL COMPOSITIONS CONTAINING THEM AND USE OF THESE ACTIVE SUBSTANCES AND COMPOSITIONS CIBA-GEIGY AG (CH) 1984-06-06 EP disclosed
US-4434108-A POSTEMERGENCE AND PREEMERGENCE HERBICIDES CIBA-GEIGY CORPORATION (US) 1984-02-28 US disclosed
EP-0043801-A2 2-Substituted 5-phenoxy-phenyl-phosphinic-acid derivatives with herbicidal activity, process for preparing them, herbicidal compositions containing them and use of these active substances and compositions CIBA-GEIGY AG (CH) 1982-01-13 EP disclosed