SCHEMBL9575568

SCHEMBL9575568

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ TDP1 Q9NUW8 2/20 0.67
▸ TTR P02766 1/20 0.67
▸ PPOX P50336 1/20 0.67
▸ FFAR1 O14842 3/20 0.43
▸ MRGPRX4 Q96LA9 1/20 0.42
▸ FBP1 P09467 3/20 0.42
▸ LMNA P02545 4/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ PPARD Q03181 2/20 0.40
▸ PPARA Q07869 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ CCR6 P51684 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL30088466 0.91 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL5933816 0.91 MEN1 (0.74) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10822496 0.88 TDP1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10511407 0.87 MEN1 (0.56) MEN1KMT2ATDP1TTRPPOX
SCHEMBL38860 0.86 MEN1 (0.68) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10536730 0.86 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL7148282 0.86 MEN1 (0.69) MEN1KMT2ATDP1TTRPPOX
SCHEMBL10830722 0.86 MEN1 (0.67) MEN1KMT2ATDP1TTRPPOX
SCHEMBL9438374 0.85 TDP1 (0.63) MEN1KMT2ATDP1TTRPPOX
SCHEMBL11024062 0.85 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5214190-A Nitrophenyl ether herbicides JOHNSON WAYNE O (US) 1993-05-25 — — US disclosed
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