SCHEMBL11199866

SCHEMBL11199866

CCP(=O)(O)C(C)Oc1cc(Oc2c(F)c(F)c(C)c(F)c2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ TP53 P04637 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ RAB9A P51151 3/20 0.31
▸ NPC1 O15118 2/20 0.31
▸ TDP1 Q9NUW8 2/20 0.31
▸ GAA P10253 1/20 0.31
▸ PKM P14618 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ TTR P02766 1/20 0.30
▸ PPOX P50336 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL11202097 0.86 MAPT (0.34) MAPTALDH1A1LMNATDP1MEN1
SCHEMBL11208301 0.83 MAPT (0.33) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL11205867 0.81 ALDH1A1 (0.34) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL11411623 0.81 MEN1 (0.38) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL11288556 0.81 MAPT (0.34) MAPTALDH1A1LMNAHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL10854582 0.80 MAPT (0.33) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL9860998 0.80 RAB9A (0.33) MAPTALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL11200433 0.79 MAPT (0.35) MAPTALDH1A1LMNAMAPK1CYP3A4
SCHEMBL10855395 0.79 TDP1 (0.32) MAPTALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL11388198 0.79 TDP1 (0.36) MAPTALDH1A1LMNAHPGDSMN1; SMN2

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
EP-0078536-A2 Phosphinates and phosphonates and their use in the control of weeds SANDOZ AG (CH) 1983-05-11 — — EP disclosed
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