SCHEMBL10854561

SCHEMBL10854561

COc1ccc(Oc2ccc([N+](=O)[O-])c(P(C)(=O)OC)c2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ POLB P06746 3/20 0.40
▸ MAPT P10636 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ GAA P10253 1/20 0.38
▸ FBP1 P09467 1/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL11046034 0.83 ALDH1A1 (0.43) ALDH1A1MAPK1HTTHPGDLMNA
SCHEMBL10859934 0.82 ALDH1A1 (0.57) ALDH1A1MAPK1HTTHPGDLMNA
SCHEMBL10854190 0.82 MAPT (0.55) ALDH1A1MAPK1HTTHPGDLMNA
SCHEMBL10852632 0.80 TDP1 (0.60) ALDH1A1MAPK1HPGDLMNASMN1; SMN2
SCHEMBL10851478 0.78 LMNA (0.49) ALDH1A1MAPK1HPGDLMNASMN1; SMN2
SCHEMBL10856940 0.78 TDP1 (0.43) ALDH1A1MAPK1HTTHPGDLMNA
SCHEMBL10962108 0.77 SMN1; SMN2 (0.44) ALDH1A1MAPK1HTTLMNASMN1; SMN2
SCHEMBL10860908 0.76 TDP1 (0.47) ALDH1A1MAPK1HTTHPGDLMNA
SCHEMBL10856547 0.76 TDP1 (0.61) ALDH1A1MAPK1HPGDLMNASMN1; SMN2
SCHEMBL11050825 0.76 KMT2A (0.39) ALDH1A1MAPK1HTTHPGDLMNA

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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