SCHEMBL8736496

SCHEMBL8736496

[CH2]C/C=C\CCCCCCC=C

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
MAPT P10636 2/20 0.41
ABCC4 O15439 1/20 0.41
ALDH1A1 P00352 4/20 0.39
TRPA1 O75762 2/20 0.38
USP2 O75604 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 3/20 0.35
LPAR3 Q9UBY5 2/20 0.35
LPAR2 Q9HBW0 1/20 0.35
CYP3A4 P08684 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 2/20 0.32
TRPV1 Q8NER1 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 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL2869978 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL21694717 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL22553073 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL25182460 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL25178037 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL22553071 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL25185216 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL21694716 1.00 TSHR (0.48) TSHRMAPTABCC4ALDH1A1TRPA1
SCHEMBL28639883 0.97 TSHR (0.43) TSHRMAPTABCC4ALDH1A1TRPA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0845942-A1 PESTICIDES BAYER AG (DE) 1998-06-10 EP disclosed
WO-1997005778-A1 PESTICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-20 WO disclosed