SCHEMBL9216407

SCHEMBL9216407

CC(C)(C)c1cc(C2(c3ccc(OC#N)c(C(C)(C)C)c3)CCCCC2)ccc1OC#N

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.39
ESR2 Q92731 4/20 0.39
PPARA Q07869 1/20 0.36
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
LMNA P02545 5/20 0.32
ALOX12 P18054 4/20 0.32
ACHE P22303 1/20 0.32
NPSR1 Q6W5P4 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 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
SCHEMBL30003792 0.81 ESR1 (0.53) ESR1ESR2PPARAALDH1A1L3MBTL1
SCHEMBL3421546 0.81 ESR1 (0.53) ESR1ESR2PPARAALDH1A1L3MBTL1
SCHEMBL918949 0.81 ESR1 (0.53) ESR1ESR2PPARAALDH1A1L3MBTL1
SCHEMBL9818166 0.75 ESR1 (0.40) ESR1ESR2PPARAALDH1A1ADORA3
SCHEMBL9818169 0.75 ESR1 (0.40) ESR1ESR2PPARAALDH1A1ADORA3
SCHEMBL29489118 0.73 PTGDR2 (0.39) ESR1ESR2PPARAALDH1A1L3MBTL1
SCHEMBL8961826 0.73 MAOA (0.36) ESR1ESR2PPARAALDH1A1L3MBTL1
SCHEMBL17042617 0.73 PTGDR2 (0.39) ESR1ESR2PPARAALDH1A1L3MBTL1
SCHEMBL29492953 0.72 ESR1 (0.62) ESR1ESR2ALDH1A1L3MBTL1ADORA3
SCHEMBL296363 0.72 ESR1 (0.62) ESR1ESR2ALDH1A1L3MBTL1ADORA3

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
JP-7149893-A None JP disclosed
JP-H07149893-A THERMOSETTING RESIN COMPOSITION WITH LOW DIELECTRIC CONSTANT SUMITOMO BAKELITE CO LTD 1995-06-13 JP disclosed