SCHEMBL10859934

SCHEMBL10859934

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.57
▸ HTT P42858 2/20 0.57
▸ MAPK1 P28482 1/20 0.54
▸ MAPT P10636 3/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MCOLN3 Q8TDD5 1/20 0.43

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
SCHEMBL1662886 0.84 ALDH1A1 (0.65) ALDH1A1HTTMAPK1MAPTCYP3A4
SCHEMBL10854561 0.82 ALDH1A1 (0.42) ALDH1A1HTTMAPK1MAPTMEN1
SCHEMBL27438045 0.82 TLR9 (0.55) ALDH1A1HTTMAPTMEN1KMT2A
SCHEMBL1897174 0.81 ALDH1A1 (0.57) ALDH1A1HTTMAPK1MAPTCYP3A4
SCHEMBL30382526 0.81 ALDH1A1 (0.57) ALDH1A1HTTMAPK1MAPTCYP3A4
SCHEMBL11046034 0.79 ALDH1A1 (0.43) ALDH1A1HTTMAPK1MAPTMEN1
SCHEMBL6180876 0.78 MERTK (0.52) ALDH1A1HTTMAPK1MAPTTSHR
SCHEMBL6567485 0.78 PIN1 (0.52) ALDH1A1HTTMAPK1MAPTMEN1
SCHEMBL14363505 0.78 ALDH1A1 (0.55) ALDH1A1HTTMAPK1MAPTCYP3A4
SCHEMBL29650091 0.77 ALDH1A1 (0.61) ALDH1A1MAPK1MAPTCYP3A4TSHR

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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