SCHEMBL10850818

SCHEMBL10850818

CCP(=O)(OCC(=O)OC)c1cc(Oc2ccc(C(F)(F)F)cc2F)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ TTR P02766 1/20 0.44
▸ PPOX P50336 1/20 0.44
▸ LMNA P02545 6/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ PPARG P37231 2/20 0.39
▸ PPARD Q03181 2/20 0.39
▸ PPARA Q07869 2/20 0.39
▸ HPGD P15428 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ SCN8A Q9UQD0 2/20 0.37
▸ SCN10A Q9Y5Y9 2/20 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
SCHEMBL10857395 0.91 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10854076 0.89 LMNA (0.39) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10856761 0.87 MEN1 (0.45) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10856914 0.83 MEN1 (0.42) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10856972 0.83 MEN1 (0.55) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10854968 0.82 MEN1 (0.48) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10857102 0.82 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10857365 0.82 TDP1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10853165 0.82 MEN1 (0.54) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10855202 0.81 TDP1 (0.48) MEN1KMT2ATDP1LMNASMN1; SMN2

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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