SCHEMBL9797837

SCHEMBL9797837

COC(=O)CCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](OC(C)=O)[C@H](OCc2ccccc2)[C@H]1OC(C)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LGALS8 O00214 1/20 0.43
▸ SSTR1 P30872 3/20 0.42
▸ SSTR2 P30874 3/20 0.42
▸ SSTR4 P31391 3/20 0.42
▸ SSTR3 P32745 3/20 0.42
▸ SSTR5 P35346 3/20 0.42
▸ TACR1 P25103 3/20 0.42
▸ SELP P16109 2/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ LGALS3 P17931 1/20 0.38

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
SCHEMBL9797842 1.00 LGALS8 (0.43) LGALS8SSTR1SSTR2SSTR4SSTR3
SCHEMBL9798405 0.91 LMNA (0.52) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL9798414 0.91 LMNA (0.52) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL9798432 0.87 SSTR1 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL9798424 0.87 SSTR1 (0.42) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL9797812 0.87 TACR1 (0.38) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL7770718 0.85 LGALS8 (0.50) LGALS8SSTR1SSTR2SSTR4SSTR3
SCHEMBL7566502 0.84 LGALS8 (0.45) LGALS8SSTR1SSTR2SSTR4SSTR3
SCHEMBL7566509 0.84 LGALS8 (0.45) LGALS8SSTR1SSTR2SSTR4SSTR3
SCHEMBL9798180 0.83 LGALS8 (0.55) LGALS8SSTR1SSTR2SSTR4SSTR3

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
US-5075433-A Substituted-3-sulfatoglucuronic acid antigens EASTMAN KODAK COMPANY (US) 1991-12-24 — — US disclosed
Send feedback