SCHEMBL16315500

SCHEMBL16315500

C=C1CC[C@H](OCCCC)C1

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 9/20 0.34
SGPL1 O95470 7/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
LIPC P11150 1/20 0.31
LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL10278211 0.78 S1PR1 (0.36) S1PR1SGPL1SMN1; SMN2
SCHEMBL18814209 0.77
SCHEMBL8316369 0.75
SCHEMBL1574372 0.73 CRBN (0.36) S1PR1SGPL1SMN1; SMN2LIPCLIPG
SCHEMBL5986706 0.73
SCHEMBL28347231 0.71 S1PR1 (0.38) S1PR1SGPL1
SCHEMBL11008165 0.71 THRB (0.35) S1PR1SGPL1
SCHEMBL2606649 0.69
SCHEMBL191351 0.69 NPC1 (0.45) SMN1; SMN2
SCHEMBL7748021 0.68 NPC1 (0.37) SMN1; SMN2

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
EP-2594569-A1 ENTECAVIR SYNTHESIS METHOD AND INTERMEDIATE COMPOUND THEREOF Zhejiang Ausun Pharmaceutical Co., Ltd. (CN) 2013-05-22 EP disclosed