SCHEMBL8962789

SCHEMBL8962789

COCc1ccc(-c2ccc([C@H]3CC[C@H](/C=C/Cl)CC3)cc2)cc1F

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 10/20 0.34
FAAH O00519 1/20 0.34
TLR7 Q9NYK1 4/20 0.32
NR1H4 Q96RI1 1/20 0.32
GBA1 P04062 2/20 0.32
LCT P09848 2/20 0.32
UGCG Q16739 2/20 0.32
GBA2 Q9HCG7 2/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32
ABCB1 P08183 1/20 0.31
HDAC2 Q92769 1/20 0.31
FFAR4 Q5NUL3 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
SCHEMBL8962781 1.00 NAAA (0.34) NAAAFAAHTLR7NR1H4GBA1
SCHEMBL8962629 0.87 HDAC2 (0.33) NR1H4HDAC2FFAR4
SCHEMBL8962633 0.87 HDAC2 (0.33) NR1H4HDAC2FFAR4
SCHEMBL8725535 0.86 NAAA (0.35) NAAAFAAHGBA1LCTUGCG
SCHEMBL7024343 0.86 NAAA (0.35) NAAAFAAHGBA1LCTUGCG
SCHEMBL8963181 0.85 FFAR4 (0.31) NR1H4FFAR4
SCHEMBL8963174 0.85 FFAR4 (0.31) NR1H4FFAR4
SCHEMBL8962824 0.82 KDM1A (0.41) NAAAFAAH
SCHEMBL8962831 0.82 KDM1A (0.41) NAAAFAAH
SCHEMBL9540776 0.82 SLC6A3 (0.36) HDAC2

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-0559860-B1 HALOVINYL-DERIVATIVES HOFFMANN LA ROCHE (CH) 1996-02-14 EP disclosed
US-5364556-A Halovinyl-derivatives HOFFMANN-LA ROCHE INC. (US) 1994-11-15 US disclosed