SCHEMBL29319679

SCHEMBL29319679

Cc1cc(O)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
RXRA P19793 4/20 0.44
RXRB P28702 4/20 0.44
RXRG P48443 3/20 0.42
RAPGEF4 Q8WZA2 1/20 0.42
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41
NOTUM Q6P988 1/20 0.41
IKBKB O14920 1/20 0.38
KIF11 P52732 1/20 0.38
CES2 O00748 1/20 0.38
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
P2RX1 P51575 1/20 0.36
TMPRSS4 Q9NRS4 1/20 0.36
KDM1A O60341 1/20 0.35
HCAR1 Q9BXC0 1/20 0.35
PTGS1 P23219 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
SCHEMBL29319740 0.92 NOTUM (0.44) ALDH1A1RXRARXRBRXRGRAPGEF4
SCHEMBL26375464 0.85 NOTUM (0.50) RXRARXRBRXRGRAPGEF4NOTUM
SCHEMBL29319988 0.85 RXRA (0.48) RXRARXRBRXRGKIF11CES2
SCHEMBL12583263 0.85 RAPGEF4 (0.48) RXRARXRBRXRGRAPGEF4NOTUM
SCHEMBL16562958 0.84 PTPN5 (0.49) ALDH1A1RAPGEF4HSD17B1HSD17B2IKBKB
SCHEMBL29623424 0.83 ALDH1A1 (0.55) ALDH1A1RAPGEF4NOTUMKIF11CES2
SCHEMBL429599 0.83 ALDH1A1 (0.55) ALDH1A1RAPGEF4NOTUMKIF11CES2
SCHEMBL13949153 0.83 NOTUM (0.49) RXRARXRBRXRGRAPGEF4NOTUM
SCHEMBL8999890 0.83 KIF11 (0.46) RXRARXRBRXRGKIF11CES2
SCHEMBL12583213 0.81 NOTUM (0.50) RXRARXRBRXRGRAPGEF4NOTUM

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