SCHEMBL27675759

SCHEMBL27675759

CC(N)c1ccccc1.O=C(O)C1CCOc2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.42
TRPM8 Q7Z2W7 1/20 0.39
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SSTR4 P31391 1/20 0.37
TP53 P04637 1/20 0.36
MAPT P10636 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
SCHEMBL5847643 0.86 SSTR4 (0.41) PTGDR2SMN1; SMN2SSTR4
SCHEMBL30207743 0.86 SSTR4 (0.41) PTGDR2SMN1; SMN2SSTR4
SCHEMBL5847641 0.86 SSTR4 (0.41) PTGDR2SMN1; SMN2SSTR4
SCHEMBL769058 0.86 SSTR4 (0.41) PTGDR2SMN1; SMN2SSTR4
SCHEMBL29948201 0.86 SSTR4 (0.41) PTGDR2SMN1; SMN2SSTR4
Hydrochloric Acid SCHEMBL28001542 0.84 SSTR4 (0.40) PTGDR2SSTR4
SCHEMBL27833998 0.84 SSTR4 (0.40) PTGDR2SSTR4
Cyanate SCHEMBL27883107 0.79 PTGDR2 (0.41) PTGDR2
SCHEMBL7420482 0.77 NPC1 (0.40) NPC1RAB9ASMN1; SMN2SSTR4MAPT
SCHEMBL5392581 0.75 ATM (0.47) TRPM8SMN1; SMN2SSTR4

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
CN-85106603-A Transform the method for 6-fluoro chroman-4-ketone as by 6-fluoro-4-urea groups chroman-4-carboxylic acid 1987-03-18 CN disclosed