SCHEMBL8849976

SCHEMBL8849976

CC1=C(C)C(C)C([Si](C)(N)Cc2ccc(F)cc2)=C1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.33
SLC2A1 P11166 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
GAA P10253 1/20 0.31
AOC3 Q16853 1/20 0.31
IDO1 P14902 2/20 0.31
AGXT P21549 2/20 0.31
ESR1 P03372 1/20 0.31
HTT P42858 1/20 0.30
PTGS2 P35354 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL6438161 0.70 POLB (0.33) GAASMN1; SMN2
SCHEMBL12816288 0.68 PTGS2 (0.31) GAAPTGS2
SCHEMBL8858294 0.67 ALDH1A1 (0.34)
SCHEMBL12818345 0.67 ESR1 (0.31) ESR1
SCHEMBL12817753 0.67 ESR1 (0.31) ESR1
SCHEMBL12816646 0.66 PTPN5 (0.33)
SCHEMBL19064379 0.65 ESR1 (0.58) LOXL2TAAR1GAAAOC3IDO1
SCHEMBL12818165 0.65 ACHE (0.31)
SCHEMBL12817582 0.65 ACHE (0.31)
SCHEMBL12815078 0.65 GCGR (0.31) PTGS2

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-0563365-B1 PREPARATION OF METAL COORDINATION COMPLEX DOW CHEMICAL CO (US) 1997-11-05 EP disclosed