SCHEMBL10854076

SCHEMBL10854076

CCP(=O)(OCC(=O)OC)c1cc(Oc2ccc(C(F)(F)F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 5/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ TTR P02766 1/20 0.39
▸ PPOX P50336 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ FBP1 P09467 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 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
SCHEMBL10850818 0.89 MEN1 (0.44) LMNASMN1; SMN2MEN1KMT2ATTR
SCHEMBL10857395 0.89 MEN1 (0.56) LMNASMN1; SMN2MEN1KMT2ATTR
SCHEMBL10856914 0.88 MEN1 (0.42) LMNASMN1; SMN2MEN1KMT2ATTR
SCHEMBL10856676 0.87 TDP1 (0.42) LMNASMN1; SMN2MEN1KMT2ATDP1
SCHEMBL10851709 0.86 LMNA (0.40) LMNASMN1; SMN2MEN1KMT2ATTR
SCHEMBL10855961 0.84 LMNA (0.54) LMNASMN1; SMN2MEN1KMT2ATDP1
SCHEMBL11048860 0.83 ALDH1A1 (0.39) LMNASMN1; SMN2MEN1KMT2ATTR
SCHEMBL10857121 0.81 MAPK1 (0.51) LMNAMEN1KMT2ATDP1MAPT
SCHEMBL10856972 0.81 MEN1 (0.55) LMNASMN1; SMN2MEN1KMT2ATTR
SCHEMBL10856496 0.80 LMNA (0.44) LMNASMN1; SMN2MEN1KMT2ATTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4563310-A HERBICIDES ZOECON CORPORATION (US) 1986-01-07 — — US disclosed
EP-0065374-A1 Substituted phosphinates and phosphinothioates and their use for the control of weeds ZOECON CORPORATION (US) 1982-11-24 — — EP disclosed
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