SCHEMBL29319988

SCHEMBL29319988

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.48
RXRB P28702 4/20 0.48
RXRG P48443 3/20 0.48
PTGS1 P23219 3/20 0.45
KIF11 P52732 1/20 0.44
CES2 O00748 1/20 0.44
ABL1 P00519 3/20 0.44
ABCB1 P08183 3/20 0.44
BCR P11274 3/20 0.44
IDO1 P14902 2/20 0.40
BACE1 P56817 1/20 0.40
KDM1A O60341 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
NQO1 P15559 1/20 0.39
PTPN2 P17706 1/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36

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
SCHEMBL8999890 0.92 KIF11 (0.46) RXRARXRBRXRGPTGS1KIF11
SCHEMBL29319890 0.87 RXRA (0.50) RXRARXRBRXRGPTGS1KIF11
SCHEMBL21944981 0.87 CA12 (0.48) RXRARXRBRXRGPTGS1KIF11
SCHEMBL21945005 0.85 RXRA (0.42) RXRARXRBRXRGKIF11CES2
SCHEMBL29319740 0.85 NOTUM (0.44) RXRARXRBRXRGPTGS1KIF11
SCHEMBL29319679 0.85 ALDH1A1 (0.46) RXRARXRBRXRGPTGS1KIF11
SCHEMBL186842 0.84 GABRA1 (0.52) RXRARXRBRXRGPTGS1KIF11
SCHEMBL69029 0.84 PTGS1 (0.52) PTGS1KIF11CES2IDO1BACE1
SCHEMBL9482063 0.84 RXRA (0.54) RXRARXRBRXRGKIF11CES2
Water SCHEMBL21493255 0.81 GABRA1 (0.50) RXRARXRBRXRGPTGS1KIF11

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-20240239931-A1 FLUORINATED RESORCINOL AND HYDROQUINONE ANALOGS AS CURING AGENTS FOR FLUOROELASTOMERS CHEMOURS COMPANY FC, LLC, THE 2024-07-18 US disclosed