SCHEMBL10992818

SCHEMBL10992818

CCOC(=O)C(OC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])C(C)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.64
▸ KMT2A Q03164 3/20 0.64
▸ TDP1 Q9NUW8 2/20 0.64
▸ TTR P02766 1/20 0.64
▸ PPOX P50336 1/20 0.64
▸ FFAR1 O14842 3/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.43
▸ HPD P32754 1/20 0.40
▸ LMNA P02545 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ PPARD Q03181 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CCR6 P51684 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR55 Q9Y2T6 1/20 0.38

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
SCHEMBL10830722 0.96 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL29373732 0.93 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL143920 0.93 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL30185879 0.93 MEN1 (0.61) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10536733 0.92 MEN1 (0.62) MEN1KMT2ATDP1TTRPPOX
Lactofen SCHEMBL8536001 0.90 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
Lactofen SCHEMBL30359837 0.90 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
Lactofen SCHEMBL30606811 0.90 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
Lactofen SCHEMBL29462400 0.90 MEN1 (0.66) MEN1KMT2ATDP1TTRPPOX
Lactofen SCHEMBL39523 0.90 MEN1 (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4517010-A 2-Nitro-5(substituted-phenoxy) benzoyl derivatives as herbicides RHONE-POULENC INC. (US) 1985-05-14 — — US disclosed
US-4424393-A Process of preparation of substituted diphenyl ethers PPG INDUSTRIES, INC. (US) 1984-01-03 — — US disclosed
Send feedback