SCHEMBL8999890

SCHEMBL8999890

Oc1cc(-c2cc(O)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
RXRA P19793 6/20 0.45
RXRB P28702 6/20 0.45
RXRG P48443 5/20 0.45
KDM1A O60341 1/20 0.44
PTGS1 P23219 3/20 0.42
CES2 O00748 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ABL1 P00519 1/20 0.40
ABCB1 P08183 1/20 0.40
BCR P11274 1/20 0.40
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
IDO1 P14902 2/20 0.37
BACE1 P56817 1/20 0.35
HSD17B13 Q7Z5P4 1/20 0.35

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
SCHEMBL29319988 0.92 RXRA (0.48) KIF11RXRARXRBRXRGKDM1A
SCHEMBL17204158 0.87 KIF11 (0.54) KIF11RXRARXRBRXRGKDM1A
SCHEMBL69029 0.86 PTGS1 (0.52) KIF11KDM1APTGS1CES2GABRA1
SCHEMBL186842 0.86 GABRA1 (0.52) KIF11RXRARXRBRXRGPTGS1
SCHEMBL21944981 0.84 CA12 (0.48) KIF11RXRARXRBRXRGKDM1A
SCHEMBL29319890 0.84 RXRA (0.50) KIF11RXRARXRBRXRGKDM1A
SCHEMBL21945058 0.84 CYP11B2 (0.45) RXRARXRBRXRGKDM1A
SCHEMBL29886876 0.83 CES2 (0.56) KIF11RXRARXRBRXRGPTGS1
SCHEMBL29384937 0.83 GABRA1 (0.50) KIF11RXRARXRBRXRGPTGS1
Water SCHEMBL21493255 0.83 GABRA1 (0.50) KIF11RXRARXRBRXRGPTGS1

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-5578697-A DIELECTRIC POLYMERS FOR ELECTRONICS KABUSHIKI KAISHA TOSHIBA (JP) 1996-11-26 US disclosed