SCHEMBL28075235

SCHEMBL28075235

CC(C)C(C)C(=O)OC(=O)c1cc(Oc2cccc(C(F)(F)F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ TTR P02766 1/20 0.46
▸ PPOX P50336 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ EPAS1 Q99814 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CES2 O00748 1/20 0.35
▸ ABCB11 O95342 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ AR P10275 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ TSHR P16473 1/20 0.35

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
SCHEMBL27343161 0.82 TDP1 (0.65) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11056890 0.81 TDP1 (0.53) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8505688 0.81 KMT2A (0.45) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11303611 0.79 TDP1 (0.48) TDP1MEN1TTRPPOXKMT2A
SCHEMBL10853274 0.78 EPAS1 (0.55) TDP1MEN1TTRPPOXKMT2A
SCHEMBL28073333 0.77 KMT2A (0.48) TDP1MEN1TTRPPOXKMT2A
SCHEMBL28259258 0.77 EPAS1 (0.54) TDP1MEN1TTRPPOXKMT2A
SCHEMBL8772383 0.76 EPAS1 (0.49) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11498163 0.76 EPAS1 (0.51) TDP1MEN1TTRPPOXKMT2A
SCHEMBL11922554 0.75 TDP1 (0.59) TDP1MEN1TTRPPOXKMT2A

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
CN-105601519-A Preparation method of acifluorfen BEIJING YINGTAIJIAHE BIOTECHNOLOGY CO LTD 2016-05-25 — — CN disclosed
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