SCHEMBL7732926

SCHEMBL7732926

ONCc1ccc2c(c1)OCO2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.67
▸ GAA P10253 3/20 0.67
▸ ALOX12 P18054 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ HPGD P15428 2/20 0.58
▸ MEN1 O00255 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ MMP13 P45452 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ RECQL P46063 2/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ TP53 P04637 1/20 0.55
▸ CRHBP P24387 1/20 0.55
▸ CRHR2 Q13324 1/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ TAAR1 Q96RJ0 1/20 0.55
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54

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
SCHEMBL30128732 1.00 ALDH1A1 (0.67) ALDH1A1GAAALOX12SMN1; SMN2HPGD
SCHEMBL109279 0.84 ALDH1A1 (0.67) ALDH1A1GAAALOX12SMN1; SMN2HPGD
SCHEMBL25990229 0.82 ALDH1A1 (0.64) ALDH1A1GAAALOX12SMN1; SMN2HPGD
SCHEMBL29261883 0.81 TAAR1 (0.61) ALDH1A1GAAMEN1LMNAMAPK1
SCHEMBL8722263 0.81 GAA (0.64) ALDH1A1GAAALOX12SMN1; SMN2HPGD
SCHEMBL6895229 0.81 ALDH1A1 (0.62) ALDH1A1GAAALOX12SMN1; SMN2HPGD
SCHEMBL354060 0.81 ALDH1A1 (0.62) ALDH1A1GAAALOX12SMN1; SMN2HPGD
SCHEMBL14612437 0.81 ALDH1A1 (0.62) ALDH1A1GAAALOX12SMN1; SMN2HPGD
SCHEMBL5944219 0.81 ALDH1A1 (0.62) ALDH1A1GAAALOX12SMN1; SMN2HPGD
SCHEMBL1254037 0.81 ALDH1A1 (0.62) ALDH1A1GAAALOX12SMN1; SMN2HPGD

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6410700-B1 Glycan derivatives MACQUARIE RESEARCH LTD. (AU) 2002-06-25 — — US claimed
EP-1021455-A1 GLYCAN DERIVATIVES Macquarie Research Ltd. (AU) 2000-07-26 — — EP claimed
EP-1021455-A4 GLYCAN DERIVATIVES MACQUARIE RES LTD (AU) 2000-07-26 — — EP claimed
WO-1998015566-A1 GLYCAN DERIVATIVES MACQUARIE RESEARCH LTD. (AU) 1998-04-16 — — WO claimed
CN-117500783-A Perfume compounds 奇华顿股份有限公司 2024-02-02 — — CN disclosed
US-6410700-B1 Glycan derivatives MACQUARIE RESEARCH LTD. (AU) 2002-06-25 — — US disclosed
EP-1021455-A1 GLYCAN DERIVATIVES Macquarie Research Ltd. (AU) 2000-07-26 — — EP disclosed
EP-1021455-A4 GLYCAN DERIVATIVES MACQUARIE RES LTD (AU) 2000-07-26 — — EP disclosed
WO-1998015566-A1 GLYCAN DERIVATIVES MACQUARIE RESEARCH LTD. (AU) 1998-04-16 — — WO disclosed
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