SCHEMBL8143402

SCHEMBL8143402

CC(C)(C)[Si](C)(C)OC1C/C(=C/C(=O)O)c2cc(F)ccc21

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.33
TRPA1 O75762 1/20 0.31
RIPK1 Q13546 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL7573710 1.00 KIF11 (0.33) KIF11TRPA1RIPK1KCNH2
SCHEMBL7564689 0.90 MAOA (0.36) KIF11
SCHEMBL7564699 0.90 MAOA (0.36) KIF11
SCHEMBL7572292 0.79 ACHE (0.36) KIF11RIPK1
SCHEMBL7565418 0.75 ACHE (0.42) KIF11TRPA1KCNH2
SCHEMBL7565411 0.75 ACHE (0.42) KIF11TRPA1KCNH2
SCHEMBL7565416 0.75 ACHE (0.42) KIF11TRPA1KCNH2
SCHEMBL7566311 0.72 TRPA1 (0.38) KIF11TRPA1KCNH2
SCHEMBL7566313 0.72 TRPA1 (0.38) KIF11TRPA1KCNH2
SCHEMBL7566305 0.72 TRPA1 (0.38) KIF11TRPA1KCNH2

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
US-6124284-A REDUCED SIDE EFFECTS GLAXO WELLCOME INC. (US) 2000-09-26 US disclosed