SCHEMBL21985654

SCHEMBL21985654

C=CCCCCCC(=C)C#N

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.48
ABCC4 O15439 1/20 0.48
ALDH1A1 P00352 4/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 2/20 0.39
TRPA1 O75762 3/20 0.36
LPAR3 Q9UBY5 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34
CYP3A4 P08684 2/20 0.31
USP2 O75604 2/20 0.31
RECQL P46063 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11554006 0.98 ABCC4 (0.45) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL4899765 0.81
SCHEMBL5832220 0.75 TDP1 (0.37)
SCHEMBL10910634 0.75
SCHEMBL8609151 0.74 MAPT (0.58) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL9007405 0.74 MAPT (0.58) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL9007415 0.74 MAPT (0.58) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL8585201 0.74 MAPT (0.58) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL18585414 0.74 MAPT (0.58) MAPTABCC4ALDH1A1LMNATSHR
SCHEMBL393724 0.74 MAPT (0.58) MAPTABCC4ALDH1A1LMNATSHR

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-3650164-A1 FLUX AND SOLDERING MATERIAL Koki Company Limited (JP) 2020-05-13 EP disclosed