SCHEMBL11091004

SCHEMBL11091004

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ 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
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ SCN9A Q15858 12/20 0.41
▸ HTT P42858 2/20 0.39
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL11009311 0.87 ALDH1A1 (0.45) NPSR1LMNATP53CYP1A2CYP3A4
SCHEMBL11012707 0.85 ALDH1A1 (0.59) NPSR1LMNATP53CYP1A2CYP3A4
SCHEMBL11011172 0.83 ALDH1A1 (0.51) NPSR1LMNATP53CYP1A2CYP3A4
SCHEMBL11075585 0.83 LMNA (0.55) NPSR1LMNAMAPTSCN9AHTT
SCHEMBL11304859 0.82 LMNA (0.52) NPSR1LMNATP53CYP1A2CYP3A4
SCHEMBL10946082 0.81 LMNA (0.53) NPSR1LMNATP53CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL10946104 0.81 LMNA (0.51) NPSR1LMNATP53CYP1A2CYP3A4
SCHEMBL10882340 0.80 MAPT (0.50) NPSR1LMNATP53CYP1A2CYP3A4
SCHEMBL11011671 0.80 PPARG (0.42) SCN9AFPR2
SCHEMBL11089385 0.79 ALDH1A1 (0.43) NPSR1LMNATP53CYP1A2CYP3A4

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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