SCHEMBL28958182

SCHEMBL28958182

CC1OC1C.CCCCC1CO1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.67
EPHX1 P07099 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CHRM2 P08172 6/20 0.41
CHRM5 P08912 4/20 0.41
CHRM1 P11229 3/20 0.41
CHRM4 P08173 2/20 0.41
CHRM3 P20309 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
PRKD3 O94806 2/20 0.36
PRKCG P05129 2/20 0.36
PRKCB P05771 2/20 0.36
PRKCA P17252 2/20 0.36
PRKCH P24723 2/20 0.36
PRKCI P41743 2/20 0.36
PRKCE Q02156 2/20 0.36
PRKCQ Q04759 2/20 0.36
PRKCZ Q05513 2/20 0.36
PRKCD Q05655 2/20 0.36
PRKD1 Q15139 2/20 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
SCHEMBL49592 0.90
SCHEMBL336104 0.90
SCHEMBL3679952 0.90
SCHEMBL11611897 0.89 ALDH1A1 (0.54) ALDH1A1EPHX1SMN1; SMN2CHRM2CHRM5
Propylene Oxide SCHEMBL9621592 0.88 ALDH1A1 (0.70) ALDH1A1EPHX1SMN1; SMN2CHRM2CHRM5
SCHEMBL28281941 0.87 ALDH1A1 (0.76) ALDH1A1EPHX1SMN1; SMN2TDP1PRKD3
Ammonia Solution, Strong SCHEMBL941488 0.87
Hydrochloric Acid SCHEMBL27531372 0.87
Fluoride SCHEMBL27505013 0.87
Methyl Alcohol SCHEMBL1486306 0.85

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-115279809-A Method for producing thermoplastic polyoxazolidinones 科思创德国股份有限公司 2022-11-01 CN disclosed