SCHEMBL8919455

SCHEMBL8919455

CCCCC[C@H]1[C@H](C(=O)O)OC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.44
S1PR3 Q99500 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KLK7 P49862 4/20 0.30
KLK5 Q9Y337 4/20 0.30
PRSS1 P07477 2/20 0.30
PRSS2 P07478 2/20 0.30
PRSS3 P35030 2/20 0.30
POLB P06746 1/20 0.30
FASN P49327 1/20 0.30

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
SCHEMBL14750633 0.85 SPHK1 (0.38) SPHK1
SCHEMBL5848390 0.83 SPHK1 (0.34) SPHK1
SCHEMBL5495814 0.82 SPHK1 (0.35) SPHK1
SCHEMBL8112149 0.82 SPHK1 (0.35) SPHK1
SCHEMBL8145278 0.82 SPHK1 (0.35) SPHK1
SCHEMBL8112146 0.82 SPHK1 (0.35) SPHK1
SCHEMBL5849654 0.80 SPHK1 (0.31) SPHK1
SCHEMBL14750600 0.77 SPHK1 (0.32) SPHK1
SCHEMBL7286513 0.76 SMN1; SMN2 (0.35) SPHK1ALDH1A1
SCHEMBL9841957 0.76 SMN1; SMN2 (0.35) SPHK1ALDH1A1

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-5606068-A Acid anhydrides, their preparation and their use RHONE-POULENC RORER S.A. (FR) 1997-02-25 US disclosed