SCHEMBL19733004

SCHEMBL19733004

CCC(O)(CC)C1COC(C)(C)N1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 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
SCHEMBL23924723 1.00 SPHK1 (0.33) SPHK1
SCHEMBL23924472 0.82
SCHEMBL1774832 0.81 SPHK1 (0.33) SPHK1
SCHEMBL5549078 0.81 SPHK1 (0.33) SPHK1
SCHEMBL3450115 0.81 SPHK1 (0.33) SPHK1
SCHEMBL15319039 0.81 SPHK1 (0.50) SPHK1
SCHEMBL15319038 0.81 SPHK1 (0.50) SPHK1
SCHEMBL28516296 0.80 SPHK1 (0.33) SPHK1
SCHEMBL1776206 0.77 SPHK1 (0.32) SPHK1
SCHEMBL25255699 0.75 SPHK1 (0.32) SPHK1

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-2834239-B1 HETEROBICYCLIC COMPOUNDS AS BETA-LACTAMASE INHIBITORS ENTASIS THERAPEUTICS LTD (GB) 2017-12-27 EP disclosed
CN-104364254-B Heterobicyclic compounds as beta-lactamase inhibitors 恩塔西斯治疗有限公司 2017-02-22 CN disclosed