SCHEMBL2294535

SCHEMBL2294535

[CH2]C1CCC(n2cnc3c(=O)[nH]cnc32)O1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.68
▸ LMNA P02545 1/20 0.68
▸ ALB P02768 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ STING1 Q86WV6 7/20 0.45
▸ TYMP P19971 2/20 0.45
▸ ADORA3 P0DMS8 3/20 0.44
▸ P2RX3 P56373 1/20 0.42
▸ HPRT1 P00492 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39

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
SCHEMBL2294538 0.84 ALDH1A1 (0.68) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL10015783 0.84 ALDH1A1 (0.68) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL24358288 0.82 ALDH1A1 (0.80) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL9548834 0.82 ALDH1A1 (0.65) ALDH1A1LMNAALBMAPK1STING1
Didanosine SCHEMBL16695885 0.81 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL21637037 0.81 ALDH1A1 (0.78) ALDH1A1LMNAALBMAPK1STING1
Didanosine SCHEMBL16695883 0.81 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1STING1
SCHEMBL13769966 0.81 ALDH1A1 (0.78) ALDH1A1LMNAALBMAPK1STING1
Didanosine SCHEMBL5021456 0.81 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1STING1
Didanosine SCHEMBL1674335 0.81 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1STING1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2055711-B1 Use of squalenic acid for the formulation of an active principle in nanoparticle state CENTRE NAT RECH SCIENT (FR) 2011-08-17 — — EP disclosed
EP-2055711-A1 Use of squalenic acid for the formulation of an active principle in nanoparticle state Centre National de la Recherche Scientifique (FR) 2009-05-06 — — EP disclosed
EP-1925624-A1 Use of squalenic acid for the formulation of an active principle in nanoparticle state Centre National de la Recherche Scientifique (FR) 2008-05-28 — — EP disclosed
EP-1761551-A1 GEMCITABINE DERIVATIVES NANOPARTICLES The Centre National de la Recherche Scientifique (FR) 2007-03-14 — — EP disclosed
WO-2006090029-A1 GEMCITABINE DERIVATIVES NANOPARTICLES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2006-08-31 — — WO disclosed
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