SCHEMBL4554358

SCHEMBL4554358

CN1C(C)(C)C=C(c2ccc(O)cc2)CC1(C)C.CN1C(C)(C)CC(=O)CC1(C)C

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ QDPR P09417 1/20 0.36
▸ ESR1 P03372 1/20 0.32
▸ HSD17B1 P14061 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ ESR2 Q92731 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TGFBR1 P36897 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
SCHEMBL3134427 0.91 SMN1; SMN2 (0.50) SMN1; SMN2QDPRESR1HSD17B1HSD17B10
SCHEMBL578932 0.70 GAA (0.35) GAA
SCHEMBL9717101 0.68 GAA (0.34) GAA
Iodide SCHEMBL6292630 0.68 GAA (0.34) GAA
Hydrochloric Acid SCHEMBL11333509 0.68 GAA (0.34) GAA
SCHEMBL5392280 0.65 — —
Acetic Acid SCHEMBL984620 0.65 TSHR (0.39) GAA
SCHEMBL14008437 0.62 GAA (0.36) SMN1; SMN2GAA
SCHEMBL15071294 0.61 TSHR (0.35) —
SCHEMBL1515973 0.61 NPC1 (0.70) SMN1; SMN2GAA

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-2137193-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF Sanofi-Aventis (FR) 2009-12-30 — — EP disclosed
WO-2008112483-A2 SUBSTITUTED DIHYDRO AND TETRAHYDRO OXAZOLOPYRIMIDINONES, PREPARATION AND USE THEREOF SANOFI-AVENTIS (FR) 2008-09-18 — — WO disclosed
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