SCHEMBL10050587

SCHEMBL10050587

Cc1cc(-c2ccccc2)ccc1Nc1ccc2c(c1)C1(CC2(C)C)CC(C)(C)c2ccc(Nc3ccc(-c4ccccc4)cc3C)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.39
RARA P10276 2/20 0.34
PTGER4 P35408 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
TNIK Q9UKE5 3/20 0.34
FSHR P23945 3/20 0.33
RXRA P19793 1/20 0.32
RIPK2 O43353 1/20 0.32
EGFR P00533 1/20 0.32
KDR P35968 1/20 0.32
TGFBR1 P36897 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
BACE1 P56817 1/20 0.31

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
SCHEMBL10049013 0.85 RARB (0.37) RARAPTGER4RARBRARGFSHR
SCHEMBL12303167 0.78 GAA (0.54) GAAPTGER4SLC1A3SLC1A2SLC1A1
SCHEMBL21335456 0.78 GAA (0.54) GAAPTGER4SLC1A3SLC1A2SLC1A1
SCHEMBL26306922 0.77 RARB (0.41) RARAPTGER4RARBRARGFSHR
SCHEMBL24685150 0.74 GAA (0.59) GAAPTGER4SLC1A3SLC1A2SLC1A1
SCHEMBL807854 0.74 PDK2 (0.39) GAAPTGER4SLC1A3SLC1A2SLC1A1
SCHEMBL26306086 0.74 RARB (0.48) RARAPTGER4RARBRARGRXRA
SCHEMBL24561522 0.73 RARB (0.46) RARARARBRARGRXRAALDH1A1
SCHEMBL10019439 0.73 HPGD (0.52) GAAPTGER4SLC1A3SLC1A2SLC1A1
SCHEMBL31091223 0.72 SLC1A3 (0.49) GAASLC1A3SLC1A2SLC1A1TNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9685613-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2017-06-20 US disclosed
US-9685613-B2 Electroactive materials E I DU PONT DE NEMOURS AND COMPANY (US) 2017-06-20 US disclosed
US-20130248847-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
US-20130248847-A1 ELECTROACTIVE MATERIALS E I DU PONT DE NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
US-20130248848-A1 PROCESS AND MATERIALS FOR MAKING CONTAINED LAYERS AND DEVICES MADE WITH SAME E.I. DU PONT NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
US-20130248848-A1 PROCESS AND MATERIALS FOR MAKING CONTAINED LAYERS AND DEVICES MADE WITH SAME E.I. DU PONT NEMOURS AND COMPANY (US) 2013-09-26 US disclosed
WO-2012087930-A2 ELECTROACTIVE MATERIALS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-06-28 WO disclosed