SCHEMBL3626865

SCHEMBL3626865

C=CCc1cc(C)ccc1S(=O)(=O)c1ccc(C)cc1CC=C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CNR2 P34972 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GAA P10253 2/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
C5AR1 P21730 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33

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
SCHEMBL2453608 0.86 POLB (0.41) POLBL3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL2812505 0.86 POLB (0.41) POLBL3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL27580944 0.82 L3MBTL1 (0.39) POLBL3MBTL1MAPK1ALDH1A1LMNA
SCHEMBL8208785 0.81 MAPK1 (0.44) POLBL3MBTL1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL11469504 0.79 HTT (0.41) ALDH1A1SMN1; SMN2CNR2MEN1KMT2A
SCHEMBL4138945 0.79 RAPGEF4 (0.42) POLBL3MBTL1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL29944741 0.79 POLB (0.51) POLBL3MBTL1ALDH1A1CNR2ESR1
SCHEMBL9820037 0.79 PTGDR (0.48) POLBL3MBTL1ALDH1A1LMNACNR2
SCHEMBL3164932 0.79 POLB (0.51) POLBL3MBTL1ALDH1A1CNR2ESR1
SCHEMBL11332776 0.78 ALDH1A1 (0.36) POLBL3MBTL1MAPK1ALDH1A1LMNA

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
EP-2216372-A1 Compounds for preventing Ghost odour THOR GmbH (DE) 2010-08-11 EP disclosed