SCHEMBL8646545

SCHEMBL8646545

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

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 1/20 0.37
▸ BRD4 O60885 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
SCHEMBL2941396 1.00 SPHK1 (0.37) SPHK1BRD4
SCHEMBL1093865 1.00 SPHK1 (0.37) SPHK1BRD4
SCHEMBL23850149 0.82 SPHK1 (0.35) SPHK1
SCHEMBL3633420 0.82 SPHK1 (0.35) SPHK1
SCHEMBL23850147 0.82 SPHK1 (0.35) SPHK1
SCHEMBL15318921 0.82 SPHK1 (0.35) SPHK1
SCHEMBL4912532 0.82 SPHK1 (0.35) SPHK1
SCHEMBL15114196 0.81 SPHK1 (0.56) SPHK1BRD4
SCHEMBL2837040 0.79 SPHK1 (0.45) SPHK1BRD4
SCHEMBL19733005 0.79 SPHK1 (0.33) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0710230-B1 1,5-BENZODIAZEPINE DERIVATIVES USEFUL AS CCK OR GASTRIN ANTAGONISTS GLAXO WELLCOME SPA (IT) 1998-09-16 — — EP disclosed
US-5451691-A Synthesis of cosmetic ingredients ELIZABETH ARDEN, CO., DIVISION OF CONOPCO, INC. (US) 1995-09-19 — — US disclosed
WO-1993022281-A1 SYNTHESIS OF COSMETIC INGREDIENT UNILEVER PLC (GB) 1993-11-11 — — WO disclosed
Send feedback