SCHEMBL11007482

SCHEMBL11007482

CCOC(=O)C(C)Oc1nc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TTR P02766 1/20 0.48
PPOX P50336 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PPARD Q03181 4/20 0.43
FFAR1 O14842 2/20 0.39
MRGPRX4 Q96LA9 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PPARA Q07869 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
CCR6 P51684 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GPR55 Q9Y2T6 1/20 0.37

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
SCHEMBL10697439 0.89 MEN1 (0.38) MEN1KMT2ATTRPPOXTDP1
SCHEMBL8509302 0.84 TDP1 (0.59) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10614668 0.83 MEN1 (0.61) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10696569 0.81 MEN1 (0.36) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10696298 0.80 ALDH1A1 (0.34) MEN1KMT2ATDP1PPARDALDH1A1
SCHEMBL10540856 0.79 MEN1 (0.46) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10699015 0.78 TDP1 (0.42) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10980211 0.78 KMT2A (0.59) MEN1KMT2ATTRPPOXTDP1
SCHEMBL4007944 0.77 MRGPRX4 (0.51) MEN1KMT2APPOXPPARDFFAR1
SCHEMBL10696366 0.77 RAB9A (0.35) TDP1ALDH1A1CYP1A2CYP3A4CYP2C19

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-4547218-A Certain 3-nitro-6-phenoxy-2-pyridyl-oxy-propionates having herbicidal activity THE DOW CHEMICAL COMPANY (US) 1985-10-15 US disclosed
US-4547218-A Certain 3-nitro-6-phenoxy-2-pyridyl-oxy-propionates having herbicidal activity THE DOW CHEMICAL COMPANY (US) 1985-10-15 US disclosed
EP-0109751-A1 Compounds and method for selectively controlling weeds in the presence of valuable crops THE DOW CHEMICAL COMPANY (US) 1984-05-30 EP disclosed