SCHEMBL5698359

SCHEMBL5698359

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OC(CC)C[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.74
NR5A2 O00482 1/20 0.74
NR5A1 Q13285 1/20 0.74
FABP3 P05413 1/20 0.66
MAPT P10636 2/20 0.65
LPAR3 Q9UBY5 7/20 0.61
LPAR1 Q92633 4/20 0.61
ENPP2 Q13822 3/20 0.61
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
RECQL P46063 1/20 0.57
LPAR2 Q9HBW0 2/20 0.57
TP53 P04637 2/20 0.53
CYP2D6 P10635 2/20 0.53
TSHR P16473 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
NFKB1 P19838 1/20 0.53

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
SCHEMBL326926 1.00 SMN1; SMN2 (0.74) SMN1; SMN2NR5A2NR5A1FABP3MAPT
SCHEMBL672430 1.00 SMN1; SMN2 (0.74) SMN1; SMN2NR5A2NR5A1FABP3MAPT
SCHEMBL326877 1.00 SMN1; SMN2 (0.74) SMN1; SMN2NR5A2NR5A1FABP3MAPT
SCHEMBL747961 1.00 SMN1; SMN2 (0.74) SMN1; SMN2NR5A2NR5A1FABP3MAPT
SCHEMBL327161 0.94 SMN1; SMN2 (0.66) SMN1; SMN2NR5A2NR5A1FABP3MAPT
SCHEMBL2021533 0.94 SMN1; SMN2 (0.66) SMN1; SMN2NR5A2NR5A1FABP3MAPT
SCHEMBL3502856 0.94 SMN1; SMN2 (0.66) SMN1; SMN2NR5A2NR5A1FABP3MAPT
SCHEMBL160176 0.92 SMN1; SMN2 (0.63) SMN1; SMN2NR5A2NR5A1FABP3MAPT
SCHEMBL6265990 0.90 SMN1; SMN2 (0.60) SMN1; SMN2NR5A2NR5A1FABP3MAPT
Hydrochloric Acid SCHEMBL15093812 0.88 FABP3 (0.70) SMN1; SMN2NR5A2NR5A1FABP3MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831923-B1 SEPARATION OF ACTIVE COMPLEXES UNIV CALIFORNIA (US) 2006-07-19 EP claimed
CN-117479962-A Cationic gas-filled microbubbles of standardized size 博莱科瑞士股份有限公司 2024-01-30 CN disclosed