SCHEMBL11226164

SCHEMBL11226164

CCCCC1(c2ccccc2C#N)CCC(C(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
PDE4B Q07343 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
KCNH2 Q12809 1/20 0.34
ELANE P08246 1/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GRM2 Q14416 1/20 0.33
CCR1 P32246 1/20 0.32
ABL1 P00519 1/20 0.32
RIN1 Q13671 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
P2RX7 Q99572 1/20 0.32

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
SCHEMBL11232446 0.96 TSHR (0.38) TSHRPDE4BL3MBTL1MEN1KMT2A
SCHEMBL7513588 0.83 CASP1 (0.41) L3MBTL1MEN1KMT2APOLBKCNH2
SCHEMBL8562488 0.81 HSD11B1 (0.39) MEN1KMT2APOLBKCNH2ABL1
SCHEMBL10788221 0.81 TSHR (0.43) TSHRPDE4BL3MBTL1MEN1KMT2A
SCHEMBL8729803 0.81 CASP1 (0.37) MEN1KMT2APOLBKCNH2ABL1
SCHEMBL14861185 0.79 TSHR (0.37) TSHRL3MBTL1ALDH1A1HPGD
SCHEMBL8043547 0.79 L3MBTL1 (0.40) TSHRPDE4BL3MBTL1MEN1KMT2A
SCHEMBL7511121 0.78 HSD11B1 (0.39) MEN1KMT2APOLBKCNH2
SCHEMBL8725831 0.77 CYSLTR2 (0.43)
SCHEMBL7507861 0.77 S1PR1 (0.38) MEN1KMT2APOLBKCNH2

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-4358589-A TETRAZINES VEB WERK FUR FERNSEHELEKTRONIK IM VEB KOMBINAT MIKROELEKTRONIK (DD) 1982-11-09 US disclosed