SCHEMBL25537685

SCHEMBL25537685

O=CCC(=O)c1cccc(C(F)(F)F)n1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.58
AHR P35869 1/20 0.45
DDR1 Q08345 1/20 0.38
CBLB Q13191 8/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
IRAK4 Q9NWZ3 5/20 0.37
CNR2 P34972 1/20 0.37
FLT3 P36888 1/20 0.36
ADRB1 P08588 1/20 0.35
PGK1 P00558 1/20 0.35
PGK2 P07205 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
SCHEMBL22493452 0.80 P2RX7 (0.61) P2RX7AHRDDR1CBLBTAS2R14
SCHEMBL31126771 0.80 P2RX7 (0.61) P2RX7AHRDDR1CBLBTAS2R14
Bromide SCHEMBL31126732 0.79 P2RX7 (0.59) P2RX7AHRDDR1CBLBTAS2R14
SCHEMBL27737055 0.79 P2RX7 (0.68) P2RX7AHRDDR1CBLBTAS2R14
SCHEMBL24443459 0.76 P2RX7 (0.60) P2RX7AHRDDR1CBLBTAS2R14
SCHEMBL29777642 0.76 P2RX7 (0.60) P2RX7AHRDDR1CBLBTAS2R14
SCHEMBL496206 0.75 P2RX7 (0.64) P2RX7AHRTAS2R14IRAK4PGK1
SCHEMBL28015459 0.75 P2RX7 (0.64) P2RX7AHRDDR1CBLBTAS2R14
SCHEMBL29375278 0.75 P2RX7 (0.64) P2RX7AHRTAS2R14IRAK4PGK1
Formic Acid SCHEMBL30892563 0.75 P2RX7 (0.59) P2RX7AHRTAS2R14IRAK4PGK1

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
WO-2023097230-A1 SPIROCYCLIC BICYCLIC MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYELINATION GENENTECH, INC. (US) 2023-06-01 WO disclosed