SCHEMBL8074381

SCHEMBL8074381

CCc1ccc(-c2[c]ccc(C(F)(F)F)c2)cc1CC

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
PDE2A O00408 1/20 0.32
KIF11 P52732 1/20 0.32
BRD9 Q9H8M2 1/20 0.31
GPR52 Q9Y2T5 1/20 0.31
CES2 O00748 1/20 0.30
DAO P14920 1/20 0.30
MAPT P10636 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
SCHEMBL8072544 0.80 PKM (0.31)
SCHEMBL8078153 0.77 KIF11 (0.43) KIF11CES2
SCHEMBL16055751 0.76 NPBWR1 (0.41) KIF11MAPT
SCHEMBL12076361 0.75 ABCB11 (0.36) KIF11
SCHEMBL5897973 0.75 PTPN5 (0.41) KIF11CES2
SCHEMBL8074574 0.75 RXRA (0.33) RXRARXRBRXRG
SCHEMBL11035038 0.75 MAPT (0.48) RXRARXRBRXRGMAPT
SCHEMBL2015248 0.74 TRPA1 (0.43) PDE2AKIF11
SCHEMBL15133743 0.74 ESR1 (0.44) PDE2AKIF11CES2DAO
SCHEMBL2204411 0.74 NOTUM (0.43) KIF11CES2

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-6166072-A Amino acid derivatives ALLELIX NEUROSCIENCE, INC. (CA) 2000-12-26 US disclosed