SCHEMBL28856830

SCHEMBL28856830

CC1CN(C(=O)O)CCC1(C)O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.35
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
FFAR3 O14843 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL21996469 0.81 NAMPT (0.33) NAMPTFFAR3ALDH1A1
SCHEMBL26133827 0.81 NAMPT (0.33) NAMPTOPRD1OPRK1
SCHEMBL21797560 0.78
SCHEMBL21724862 0.78
SCHEMBL18040915 0.78
SCHEMBL29160968 0.78 NAMPT (0.34) NAMPT
SCHEMBL23523345 0.77 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL20898688 0.77 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL23523344 0.77 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL29090938 0.77 SMN1; SMN2 (0.32) SMN1; SMN2

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-108715590-B Thiazolecarboxamide and picolinamide compounds useful as PIM kinase inhibitors 因赛特公司 2022-03-08 CN disclosed