Sugi Predict

Sugi Predict / Compounds / SCHEMBL9503157

SCHEMBL9503157

SCHEMBL9503157

CCCCCCCC/C=C\CCCCCCCCC(O)[C@H]1OC(O)(CCCC)[C@H](O)[C@@H](O)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PDCD4 Q53EL6 3/20 0.38
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ GBA1 P04062 10/20 0.33
▸ GAA P10253 3/20 0.33

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
SCHEMBL9501624 0.92 GBA1 (0.37) GBA1GAA
SCHEMBL4981239 0.66 FFAR1 (0.43) FFAR1FFAR4
SCHEMBL13858353 0.65 AKT1 (0.36) —
SCHEMBL13858527 0.65 AKT1 (0.36) —
SCHEMBL2380445 0.65 GAA (0.37) GAA
SCHEMBL6698181 0.65 FAAH (0.39) —
SCHEMBL2826342 0.63 FFAR1 (0.62) FFAR1FFAR4
SCHEMBL2933857 0.63 FFAR1 (0.62) FFAR1FFAR4
SCHEMBL3185051 0.63 FFAR1 (0.62) FFAR1FFAR4
SCHEMBL10081525 0.63 FFAR1 (0.62) FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0334498-B1 SURFACE ACTIVE COMPOUNDS AND A PROCESS FOR THEIR PREPARATION CERESTAR HOLDING BV (NL) 1993-05-12 — — EP disclosed
US-4959459-A Surface active compounds and a process for their preparation CERESTAR HOLDING BV (NL) 1990-09-25 — — US disclosed
EP-0334498-A1 Surface active compounds and a process for their preparation CERESTAR HOLDING BV (NL) 1989-09-27 — — EP disclosed