SCHEMBL11089385

SCHEMBL11089385

CC(C=O)Oc1ccc(Oc2cnc3cc(C(F)(F)F)ccc3n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ GMNN O75496 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HTT P42858 6/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40

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
SCHEMBL11008454 0.85 HTT (0.51) ALDH1A1HPGDNPSR1LMNATP53
SCHEMBL11304859 0.83 LMNA (0.52) ALDH1A1HPGDNPSR1LMNATP53
SCHEMBL11013817 0.83 ALDH1A1 (0.61) ALDH1A1HPGDNPSR1LMNATP53
Hydrochloric Acid SCHEMBL10946104 0.83 LMNA (0.51) ALDH1A1HPGDNPSR1LMNATP53
SCHEMBL10946082 0.83 LMNA (0.53) ALDH1A1HPGDNPSR1LMNATP53
SCHEMBL10882340 0.82 MAPT (0.50) ALDH1A1HPGDNPSR1LMNATP53
SCHEMBL11011899 0.80 ALDH1A1 (0.52) ALDH1A1HPGDNPSR1LMNATP53
SCHEMBL9449469 0.80 LMNA (0.56) ALDH1A1NPSR1LMNAMAPTSMN1; SMN2
SCHEMBL11091004 0.79 NPSR1 (0.43) ALDH1A1HPGDNPSR1LMNATP53
SCHEMBL11271682 0.78 HTT (0.47) ALDH1A1HPGDNPSR1LMNAHTT

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-4469872-A Substituted pyridyloxyphenoxyhydroxyketones ZOECON CORPORATION (US) 1984-09-04 — — US disclosed
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