SCHEMBL28639883

SCHEMBL28639883

[CH2]CC=CCCCCC=C

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPT P10636 2/20 0.37
ABCC4 O15439 1/20 0.37
TRPA1 O75762 3/20 0.36
USP2 O75604 2/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.32
CYP3A4 P08684 1/20 0.32
RECQL P46063 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LPAR3 Q9UBY5 2/20 0.32
LPAR2 Q9HBW0 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
SCHEMBL29284482 0.97 TSHR (0.48) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL22553071 0.97 TSHR (0.48) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL21694717 0.97 TSHR (0.48) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL25182460 0.97 TSHR (0.48) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL22553073 0.97 TSHR (0.48) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL25185216 0.97 TSHR (0.48) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL8736496 0.97 TSHR (0.48) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL25178037 0.97 TSHR (0.48) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL21694716 0.97 TSHR (0.48) TSHRALDH1A1MAPTABCC4TRPA1
SCHEMBL2869978 0.97 TSHR (0.48) TSHRALDH1A1MAPTABCC4TRPA1

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
CN-113490663-A Pyridazine (thio) amides as fungicidal compounds 拜耳公司 2021-10-08 CN disclosed