SCHEMBL31154489

SCHEMBL31154489

C=CCn1ccnc1.COP(=O)(O)OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.44
GGPS1 O95749 3/20 0.42
BTN3A1 O00481 1/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
LMNA P02545 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
TBXAS1 P24557 5/20 0.38
ALDH1A1 P00352 2/20 0.38
EGLN3 Q9H6Z9 1/20 0.36
CYP19A1 P11511 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
Diethyl Hydrogen Phosphate SCHEMBL31154490 0.85 FDPS (0.42) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL1783609 0.81 FDPS (0.43) FDPSGGPS1BTN3A1CA12CA2
SCHEMBL28472934 0.80 LMNA (0.40) FDPSLMNATBXAS1ALDH1A1EGLN3
SCHEMBL83887 0.80
SCHEMBL16371567 0.80 TBXAS1 (0.48) TBXAS1ALDH1A1EGLN3CYP19A1
Acetic Acid SCHEMBL14833100 0.79 ALDH1A1 (0.52) TBXAS1ALDH1A1EGLN3
SCHEMBL16101936 0.78
Bromide SCHEMBL625730 0.78
SCHEMBL16101937 0.78
Hydrochloric Acid SCHEMBL252185 0.78

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-118994679-A Method for preparing degradable regenerated cellulose fiber/membrane by dissolving cellulose in liquid polymeric ionic liquid 郑州工业应用技术学院 2024-11-22 CN disclosed