SCHEMBL10812715

SCHEMBL10812715

CC[PH](=O)C(C)OC(=O)c1cc(Oc2c(F)c(F)c(C)c(F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.41
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ TTR P02766 1/20 0.35
▸ PPOX P50336 1/20 0.35
▸ MAPT P10636 6/20 0.34
▸ GAA P10253 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ NFKB1 P19838 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.33
▸ PLA2G1B P04054 1/20 0.33
▸ ATG4B Q9Y4P1 1/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MITF O75030 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CCR6 P51684 1/20 0.32

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
SCHEMBL9442003 0.86 SMN1; SMN2 (0.42) TDP1SMN1; SMN2KMT2AMEN1TTR
SCHEMBL11114839 0.84 TDP1 (0.45) TDP1SMN1; SMN2KMT2AMEN1TTR
SCHEMBL11266141 0.82 TDP1 (0.45) TDP1SMN1; SMN2KMT2AMEN1TTR
SCHEMBL11213666 0.82 TDP1 (0.57) TDP1SMN1; SMN2KMT2AMEN1TTR
SCHEMBL11278070 0.80 TDP1 (0.41) TDP1SMN1; SMN2KMT2AMEN1TTR
SCHEMBL10877259 0.80 ALDH1A1 (0.42) TDP1SMN1; SMN2KMT2AMEN1TTR
SCHEMBL9120594 0.80 MEN1 (0.52) TDP1SMN1; SMN2KMT2AMEN1TTR
SCHEMBL11190333 0.80 TDP1 (0.43) TDP1SMN1; SMN2KMT2AMEN1TTR
SCHEMBL11272565 0.79 TDP1 (0.41) TDP1SMN1; SMN2KMT2AMEN1TTR
SCHEMBL10430085 0.79 TDP1 (0.43) TDP1SMN1; SMN2KMT2AMEN1TTR

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-4640701-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES FOR CEREALS, CORN, RICE, SOYBEAN CROPS CIBA-GEIGY CORPORATION (US) 1987-02-03 — — US claimed
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