SCHEMBL19050322

SCHEMBL19050322

C=CC(=O)CCCCCCBr

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.37
ABCC4 O15439 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 2/20 0.36
FAAH O00519 3/20 0.35
CYP3A4 P08684 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NFKB1 P19838 1/20 0.32
PMP22 Q01453 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
SCHEMBL13236321 1.00 TSHR (0.39) TSHRALDH1A1MAPTABCC4SMN1; SMN2
SCHEMBL29251226 0.98
SCHEMBL23631357 0.87 TSHR (0.48) TSHRALDH1A1MAPTABCC4SMN1; SMN2
SCHEMBL8738053 0.87 TSHR (0.48) TSHRALDH1A1MAPTABCC4SMN1; SMN2
SCHEMBL22492168 0.87 TSHR (0.48) TSHRALDH1A1MAPTABCC4SMN1; SMN2
SCHEMBL18623650 0.87 TSHR (0.48) TSHRALDH1A1MAPTABCC4SMN1; SMN2
SCHEMBL2691938 0.87 TSHR (0.48) TSHRALDH1A1MAPTABCC4SMN1; SMN2
SCHEMBL6557587 0.84 ALDH1A1 (0.50) TSHRALDH1A1MAPTABCC4SMN1; SMN2
SCHEMBL6058940 0.82 TSHR (0.34) TSHRALDH1A1MAPTABCC4SMN1; SMN2
SCHEMBL11253246 0.79

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
WO-2017109116-A1 USE OF A TYPE II PHOTOINITIATOR SYSTEM FOR CROSSLINKING SILICONE COMPOSITIONS BLUESTAR SILICONES FRANCE SAS (FR) 2017-06-29 WO disclosed