SCHEMBL11187255

SCHEMBL11187255

Oc1ccc(Oc2ncccc2C(F)(F)F)cc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.59
▸ MAPT P10636 1/20 0.59
▸ ATM Q13315 1/20 0.59
▸ SCN9A Q15858 2/20 0.53
▸ DRD1 P21728 2/20 0.46
▸ CSNK1A1 P48729 1/20 0.45
▸ CSNK1D P48730 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ CSNK1G2 P78368 1/20 0.45
▸ PDE10A Q9Y233 1/20 0.45
▸ FPR2 P25090 1/20 0.44

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
SCHEMBL11123455 0.86 ALDH1A1 (0.45) ALDH1A1MAPTATMSCN9ADRD1
SCHEMBL8129823 0.85 ALDH1A1 (0.59) ALDH1A1MAPTATMSCN9ADRD1
SCHEMBL7898118 0.84 ALDH1A1 (0.59) ALDH1A1MAPTATMSCN9ADRD1
SCHEMBL8237109 0.84 ALDH1A1 (0.59) ALDH1A1MAPTATMSCN9ADRD1
SCHEMBL9338866 0.84 ALDH1A1 (0.59) ALDH1A1MAPTATMSCN9ADRD1
SCHEMBL4318313 0.82 ALDH1A1 (0.54) ALDH1A1MAPTATMSCN9ADRD1
SCHEMBL15307367 0.80 MAPT (0.55) ALDH1A1MAPTATMSCN9ADRD1
SCHEMBL2486479 0.79 CSNK1A1 (0.54) ALDH1A1MAPTATMSCN9ACSNK1A1
SCHEMBL11244530 0.79 ALDH1A1 (0.42) ALDH1A1MAPTATMSCN9ADRD1
SCHEMBL4318737 0.79 LMNA (0.53) ALDH1A1MAPTATMSCN9AFPR2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4414391-A A process for preparing 2-pyridinyloxyphenoxy-lower-alkanoates IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-11-08 — — US disclosed
EP-0040478-A1 Process for preparing pyridine derivatives and intermediates useful in the process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-11-25 — — EP disclosed
EP-0030867-A1 Process for the preparation of substituted pyridinyloxy ethers E.I. DU PONT DE NEMOURS AND COMPANY (US) 1981-06-24 — — EP disclosed
US-4266063-A FROM A HALOPYRIDINE AND HYDROQUINONE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-05-05 — — US disclosed
EP-0003648-A2 4-Aryloxy-substituted phenoxypropionamide derivatives useful as herbicides, compositions containing them, and processes for making them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-22 — — EP disclosed
Send feedback