SCHEMBL10952797

SCHEMBL10952797

CCOP(C)(=O)C(C)Oc1cc(Oc2ccc(C(F)(F)F)cc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ TTR P02766 1/20 0.41
▸ PPOX P50336 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 7/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ ALDH1A1 P00352 4/20 0.40
▸ POLB P06746 1/20 0.40
▸ MAPT P10636 5/20 0.38
▸ GAA P10253 2/20 0.38
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ATM Q13315 1/20 0.35

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
SCHEMBL10949091 0.92 MEN1 (0.42) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10949685 0.90 MEN1 (0.54) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10947220 0.84 MEN1 (0.41) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10852553 0.82 MEN1 (0.45) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10944300 0.81 MEN1 (0.52) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10950904 0.80 MEN1 (0.53) MEN1KMT2ATTRPPOXTDP1
SCHEMBL10947216 0.80 PDE7A (0.48) MEN1KMT2ATDP1LMNASMN1; SMN2
SCHEMBL10944416 0.80 TDP1 (0.56) MEN1KMT2ATTRPPOXTDP1
SCHEMBL11200433 0.79 MAPT (0.35) LMNAALDH1A1MAPTCYP3A4MAPK1
SCHEMBL10953255 0.79 MEN1 (0.54) MEN1KMT2ATTRPPOXTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4556520-A HERBICIDES, INSECTICIDES ZOECON CORPORATION (US) 1985-12-03 — — US disclosed
US-4536355-A Phenoxyphenylaminoalkylphosphinates useful in weed control ZOECON CORPORATION (US) 1985-08-20 — — US disclosed
US-4456464-A Phenoxy- and pyridyloxy-phenoxyalkyl phosphinates and related sulfur compounds for weed control ZOECON CORPORATION (US) 1984-06-26 — — US disclosed
EP-0078536-A2 Phosphinates and phosphonates and their use in the control of weeds SANDOZ AG (CH) 1983-05-11 — — EP disclosed
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