SCHEMBL11525544

SCHEMBL11525544

Cc1cc(C(=O)CC(c2ccccc2)c2ccccc2)cc(C)c1OCCCN(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.52
THRB P10828 1/20 0.52
KDM4E B2RXH2 8/20 0.51
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
PPARA Q07869 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 1/20 0.44
HTR2A P28223 1/20 0.43
HRH1 P35367 1/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL11525521 0.94 THRA (0.50) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL11530069 0.89 PPARA (0.48) THRATHRBKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL11533364 0.88 CYP3A4 (0.48) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL11527903 0.86 PPARA (0.47) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL11529555 0.86 PPARA (0.50) THRATHRBKDM4EALDH1A1MEN1
SCHEMBL11533260 0.84 THRA (0.49) THRATHRBALDH1A1MEN1KMT2A
SCHEMBL11529632 0.84 LMNA (0.50) THRATHRBKDM4EALDH1A1KMT2A
SCHEMBL11527398 0.84 MCHR1 (0.46) THRATHRBKDM4EALDH1A1MEN1
Hydrochloric Acid SCHEMBL11525641 0.83 THRA (0.48) THRATHRBALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL11528321 0.83 ALDH1A1 (0.51) THRATHRBKDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4140770-A Benzoylethers and processes for their production A. NATTERMANN & CIE. GMBH (DE) 1979-02-20 US disclosed