SCHEMBL3082586

SCHEMBL3082586

CCOC(=O)C(C)O.O=C(c1ncc[nH]1)c1ncc[nH]1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.37
GAA P10253 2/20 0.37
MEN1 O00255 1/20 0.37
NUDT1 P36639 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
BRAF P15056 1/20 0.36
HDAC1 Q13547 1/20 0.36
KDM4E B2RXH2 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.35
GLA P06280 1/20 0.34
HSPA5 P11021 1/20 0.34
HTT P42858 1/20 0.33
POLB P06746 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
Alcohol SCHEMBL6582311 0.78 NPC1 (0.58) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL28891951 0.78 NPC1 (0.41) NPC1RAB9AKMT2ASMN1; SMN2GAA
SCHEMBL152733 0.77 NUDT1 (0.49) NPC1RAB9AKMT2ASMN1; SMN2GAA
SCHEMBL1324 0.76 NPC1 (0.62) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
Bromide SCHEMBL29572453 0.76 NUDT1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL29571385 0.76 NUDT1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2GAA
Hydrochloric Acid SCHEMBL6175391 0.76 NUDT1 (0.48) NPC1RAB9AKMT2ASMN1; SMN2GAA
SCHEMBL19031494 0.75 NPC1 (0.44) NPC1RAB9AKMT2ASMN1; SMN2ALDH1A1
SCHEMBL5790203 0.74 KDM4E (0.43) NPC1RAB9AKMT2ASMN1; SMN2GAA
SCHEMBL1937210 0.74 RAB9A (0.46) NPC1RAB9AKMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226985-A1 VISCOELASTIC AQUEOUS GELS COMPRISING MICROSPHERES OCTOPLUS SCIENCES B.V. (NL) 2010-09-09 US disclosed
EP-2054039-A2 VISCOELASTIC AQUEOUS GELS COMPRISING MICROSPHERES OctoPlus Sciences B.V. (NL) 2009-05-06 EP disclosed
EP-1891941-A1 Aqueous gels comprising microspheres OctoPlus Technologies B.V. (NL) 2008-02-27 EP disclosed
WO-2008018796-A2 VISCOELASTIC AQUEOUS GELS COMPRISING MICROSPHERES OCTOPLUS SCIENCES B.V. (NL) 2008-02-14 WO disclosed