SCHEMBL10859868

SCHEMBL10859868

CCP(=O)(OCC(=O)OC)c1cc(Oc2ncc(Cl)cc2Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LIPE Q05469 4/20 0.42
▸ BCHE P06276 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ HPGD P15428 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ PIN1 Q13526 1/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ PPARG P37231 1/20 0.36
▸ PSMD14 O00487 1/20 0.36

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
SCHEMBL10855961 0.89 LMNA (0.54) LIPESMN1; SMN2LMNATDP1HPGD
SCHEMBL10854845 0.87 LMNA (0.46) LIPEBCHESMN1; SMN2LMNACYP2C9
SCHEMBL10856676 0.85 TDP1 (0.42) SMN1; SMN2LMNATDP1MAPK1L3MBTL1
SCHEMBL10855208 0.82 MAPK1 (0.48) LIPEBCHESMN1; SMN2LMNACYP2C9
SCHEMBL10855202 0.82 TDP1 (0.48) SMN1; SMN2LMNATDP1MAPK1L3MBTL1
SCHEMBL11052171 0.81 LMNA (0.48) LIPEBCHESMN1; SMN2LMNACYP2C9
SCHEMBL10861427 0.81 LMNA (0.46) LIPESMN1; SMN2LMNATDP1HPGD
SCHEMBL10858089 0.81 LMNA (0.45) LIPESMN1; SMN2LMNATDP1HPGD
SCHEMBL10853955 0.80 SMN1; SMN2 (0.51) LIPESMN1; SMN2LMNATDP1HPGD
SCHEMBL10847036 0.80 LMNA (0.47) LIPEBCHESMN1; SMN2LMNACYP2C9

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-4563310-A HERBICIDES ZOECON CORPORATION (US) 1986-01-07 — — US disclosed
EP-0065374-A1 Substituted phosphinates and phosphinothioates and their use for the control of weeds ZOECON CORPORATION (US) 1982-11-24 — — EP disclosed
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