SCHEMBL10445209

SCHEMBL10445209

Nc1ccccc1C1(O)C=CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.36
ALOX15 P16050 2/20 0.31
CYP3A4 P08684 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL28020042 0.80 MEN1 (0.35) PDK2ALOX15CYP3A4SMN1; SMN2
SCHEMBL6421730 0.76 SLC6A2 (0.40) PDK2
SCHEMBL2490086 0.76 HDAC4 (0.34) PDK2SMN1; SMN2TSHR
SCHEMBL6932784 0.75 CYP3A4 (0.31) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL4089733 0.73 HDAC4 (0.36)
SCHEMBL9666259 0.70 ALDH1A1 (0.35) ALOX15CYP3A4CASP1
SCHEMBL28469714 0.70 PNMT (0.39) PDK2CYP3A4SMN1; SMN2
SCHEMBL9338124 0.70 PDK2 (0.33) PDK2
SCHEMBL29106716 0.67 ALOX5AP (0.36) PDK2
SCHEMBL2079404 0.66 ALOX15 (0.41) PDK2ALOX15CYP3A4CASP1CASP7

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-0359037-A2 Low-viscosity polyamide mouldings and mixtures BAYER AG (DE) 1990-03-21 EP claimed
EP-0359038-A2 Liquid crystalline polycondensates with a high thermal stability, process for making them and their use in producing moulded articles, films, fibres and filaments BAYER AG (DE) 1990-03-21 EP disclosed