SCHEMBL7766937

SCHEMBL7766937

C#CC(C)(C)Oc1ccc(CC(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.34
PPARA Q07869 4/20 0.33
PPARG P37231 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
CASR P41180 1/20 0.33
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
SLC6A4 P31645 1/20 0.32
ACACB O00763 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
GRIN2B Q13224 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
SCHEMBL8803204 0.80 ELANE (0.42) ELANEALDH1A1TSHREPHX2SLC6A4
SCHEMBL7768141 0.77 CA1 (0.39) ELANEPPARAPPARG
SCHEMBL32670526 0.75 ALDH1A1 (0.47) ALDH1A1TSHRCASREPHX2NR1H4
SCHEMBL7763494 0.74 ELANE (0.35) ELANEEPHX2NR1H4
SCHEMBL9196159 0.74 ACHE (0.41) ELANEPPARAALDH1A1TSHRBCHE
SCHEMBL2008822 0.74 ELANE (0.56) ELANEALDH1A1TSHRACHE
SCHEMBL9741208 0.72 PTPRZ1 (0.45) ELANEALDH1A1EPHX2NR1H4
SCHEMBL17186898 0.72 PPARA (0.48) ELANEPPARAPPARGALDH1A1TSHR
SCHEMBL21408547 0.72 MEN1 (0.48) ELANEALDH1A1TSHRSLC6A4
SCHEMBL9581834 0.72 MAPT (0.44) ELANEALDH1A1TSHREPHX2NR1H4

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-1109801-A1 SUBSTITUTED DIHYDROBENZOPYRANS USEFUL AS ANTIARRHYTHMIC AGENTS THE PROCTER & GAMBLE COMPANY (US) 2001-06-27 EP disclosed
WO-2000014084-A1 SUBSTITUTED DIHYDROBENZOPYRANS USEFUL AS ANTIARRHYTHMIC AGENTS THE PROCTER & GAMBLE COMPANY (US) 2000-03-16 WO disclosed