SCHEMBL7878955

SCHEMBL7878955

CC(C)(C)C(=O)OCOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.62
▸ KMT2A Q03164 3/20 0.62
▸ TDP1 Q9NUW8 2/20 0.62
▸ TTR P02766 1/20 0.62
▸ PPOX P50336 1/20 0.62
▸ FFAR1 O14842 5/20 0.45
▸ LMNA P02545 6/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ PPARD Q03181 2/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ HPGD P15428 2/20 0.40
▸ CCR6 P51684 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ GPR55 Q9Y2T6 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL11054533 0.84 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL29352272 0.84 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL39004 0.84 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL8539841 0.84 MEN1 (0.65) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9438374 0.84 TDP1 (0.63) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11059167 0.83 TDP1 (0.70) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10616713 0.83 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL11018179 0.83 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
Oxyfluorfen SCHEMBL11018176 0.83 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10615293 0.83 MEN1 (0.59) MEN1KMT2ATDP1TTRPPOX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 — — WO disclosed
Send feedback