SCHEMBL28979804

SCHEMBL28979804

C=CC(=O)C(C)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
AAK1 Q2M2I8 1/20 0.37
MEN1 O00255 1/20 0.36
TSHR P16473 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPK1 P28482 1/20 0.35
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL15227250 0.98 SMN1; SMN2 (0.41) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL15226806 0.96 SMN1; SMN2 (0.40) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL15226812 0.90 SMN1; SMN2 (0.39) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL20819475 0.86
SCHEMBL12979662 0.79 SMN1; SMN2 (0.46) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL2380656 0.79 SMN1; SMN2 (0.46) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL19316681 0.79 SMN1; SMN2 (0.46) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL29050602 0.78 SMN1; SMN2 (0.41) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL3714585 0.75 ALDH1A1 (0.50) SMN1; SMN2PKMALDH1A1KMT2AMAPT
SCHEMBL8902371 0.75 SMN1; SMN2 (0.42) SMN1; SMN2PKMALDH1A1KMT2AMAPT

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-115748251-A Processing method for improving spinnability of alginate fibers and application 青岛格诚经纬生物科技有限公司 2023-03-07 CN disclosed