SCHEMBL10690773

SCHEMBL10690773

COC(=O)COCc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
TDP1 Q9NUW8 2/20 0.61
TTR P02766 1/20 0.61
PPOX P50336 1/20 0.61
FFAR1 O14842 3/20 0.45
LMNA P02545 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HTR2A P28223 2/20 0.41
SLC6A4 P31645 2/20 0.41
KCNH2 Q12809 2/20 0.41
MRGPRX4 Q96LA9 2/20 0.41
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
MAPT P10636 3/20 0.41
CCR6 P51684 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL10961986 0.90 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10964006 0.89 TDP1 (0.49) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10512308 0.88 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10379350 0.86 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10963877 0.86 MEN1 (0.64) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9342792 0.85 MEN1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10996901 0.85 MEN1 (0.58) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9759562 0.84 MEN1 (0.57) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10993564 0.84 MEN1 (0.60) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10509899 0.83 MEN1 (0.54) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4744812-A HALOGENATED DIPHENYL ETHER BASF AKTIENGESELLSCHAFT (DE) 1988-05-17 US claimed
EP-0056119-B1 SUBSTITUTED DIPHENYL ETHERS, HERBICIDES CONTAINING THEM AND THEIR USE AS HERBICIDES BASF Aktiengesellschaft (DE) 1985-08-07 EP claimed
US-4744812-A HALOGENATED DIPHENYL ETHER BASF AKTIENGESELLSCHAFT (DE) 1988-05-17 US disclosed