SCHEMBL29319740

SCHEMBL29319740

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.44
ALDH1A1 P00352 1/20 0.41
RXRA P19793 5/20 0.40
RXRB P28702 5/20 0.40
PTGS1 P23219 4/20 0.39
RXRG P48443 3/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38
KIF11 P52732 1/20 0.38
PGK1 P00558 1/20 0.37
PGK2 P07205 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
ABL1 P00519 1/20 0.37
ABCB1 P08183 1/20 0.37
BCR P11274 1/20 0.37
KDM1A O60341 1/20 0.35
GAA P10253 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL29319679 0.92 ALDH1A1 (0.46) NOTUMALDH1A1RXRARXRBPTGS1
SCHEMBL29319988 0.85 RXRA (0.48) RXRARXRBPTGS1RXRGKIF11
SCHEMBL12583213 0.85 NOTUM (0.50) NOTUMRXRARXRBRXRGRAPGEF4
SCHEMBL26375464 0.85 NOTUM (0.50) NOTUMRXRARXRBRXRGRAPGEF4
SCHEMBL26824259 0.84 HSD17B1 (0.47) RXRARXRBHSD17B1HSD17B2
SCHEMBL29623424 0.83 ALDH1A1 (0.55) NOTUMALDH1A1PTGS1RAPGEF4KIF11
SCHEMBL429599 0.83 ALDH1A1 (0.55) NOTUMALDH1A1PTGS1RAPGEF4KIF11
SCHEMBL13949153 0.83 NOTUM (0.49) NOTUMRXRARXRBRXRGRAPGEF4
SCHEMBL8999890 0.83 KIF11 (0.46) RXRARXRBPTGS1RXRGKIF11
SCHEMBL24211025 0.81 RXRA (0.50) NOTUMRXRARXRBRXRGRAPGEF4

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