SCHEMBL11079404

SCHEMBL11079404

C#CC(Oc1ccc(C)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
SLC6A9 P48067 3/20 0.37
HTR1A P08908 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
CYP19A1 P11511 1/20 0.35
ACHE P22303 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL28307068 0.87 SLC6A4 (0.38) TSHR
SCHEMBL10834009 0.84 LTA4H (0.44) MEN1KMT2APPARGPPARATSHR
SCHEMBL28792157 0.82 ALDH1A1 (0.40) NPSR1MEN1KMT2APPARGPPARA
SCHEMBL8507010 0.79 NPC1 (0.38) MEN1KMT2AHPGDCNR2
SCHEMBL11082053 0.77 L3MBTL1 (0.40) KMT2AHTR1AHTTSMN1; SMN2ALDH1A1
SCHEMBL11085629 0.75 SLC6A2 (0.46) MEN1KMT2ASMN1; SMN2HPGDLMNA
SCHEMBL28468103 0.75 SRD5A2 (0.53) NPSR1MEN1KMT2APPARGPPARA
SCHEMBL16406605 0.75 NPSR1 (0.45) NPSR1MEN1KMT2APPARGPPARA
SCHEMBL16382776 0.73 NPSR1 (0.47) NPSR1MEN1KMT2APPARGPPARA
SCHEMBL257849 0.73 FFAR1 (0.54) NPSR1MEN1KMT2APPARGPPARA

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-4467102-A RACEMIC MODIFICATION WITH BRUCINE UBE INDUSTRIES, LTD. (JP) 1984-08-21 US disclosed