SCHEMBL11123455

SCHEMBL11123455

Oc1ccc(OOc2ncccc2C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ ATM Q13315 1/20 0.45
▸ SCN9A Q15858 1/20 0.41
▸ TRPM8 Q7Z2W7 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.38
▸ DRD1 P21728 2/20 0.37
▸ TLR7 Q9NYK1 2/20 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
SCHEMBL11187255 0.86 ALDH1A1 (0.59) ALDH1A1MAPTATMSCN9ADRD1
SCHEMBL9972337 0.76 ALDH1A1 (0.42) ALDH1A1MAPTATMSCN9A
SCHEMBL11244530 0.72 ALDH1A1 (0.42) ALDH1A1MAPTATMSCN9ADRD1
SCHEMBL322870 0.71 SLC22A12 (0.55) ALDH1A1MAPTATM
SCHEMBL30440802 0.71 SLC22A12 (0.55) ALDH1A1MAPTATM
SCHEMBL8989529 0.71 ALDH1A1 (0.46) ALDH1A1MAPTATMSCN9A
SCHEMBL6195448 0.70 TRPV1 (0.56) TRPV1
SCHEMBL8129823 0.70 ALDH1A1 (0.59) ALDH1A1MAPTATMSCN9ADRD1
SCHEMBL8237109 0.70 ALDH1A1 (0.59) ALDH1A1MAPTATMSCN9ADRD1
SCHEMBL9338866 0.70 ALDH1A1 (0.59) ALDH1A1MAPTATMSCN9ADRD1

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
EP-0050097-B1 ALPHA-(PYRIDYL-2-OXY-PHENOXY)-PROPIONIC-ACID DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES AND/OR PLANT GROWTH REGULATORS CIBA-GEIGY AG (CH) 1984-12-05 — — EP disclosed
EP-0050097-A1 Alpha-(pyridyl-2-oxy-phenoxy)-propionic-acid derivatives, process for their preparation and their use as herbicides and/or plant growth regulators CIBA-GEIGY AG (CH) 1982-04-21 — — EP disclosed
Send feedback