SCHEMBL3908550

SCHEMBL3908550

COC(OC)(OC)OC(=O)Cc1ccccn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 3/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
KDM4E B2RXH2 2/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PTPRA P18433 1/20 0.41
CYP2C19 P33261 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL29676749 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRRAB9ANPC1
SCHEMBL6339719 0.84 ALDH1A1 (0.51) ALDH1A1CYP1A2TSHRRAB9ANPC1
SCHEMBL5312191 0.83 CYP1A2 (0.40) ALDH1A1CYP1A2TSHRRAB9ANPC1
SCHEMBL5310369 0.82 ALDH1A1 (0.42) ALDH1A1CYP1A2TSHRRAB9ANPC1
SCHEMBL78000 0.82 SMN1; SMN2 (0.53) ALDH1A1CYP1A2TSHRRAB9ANPC1
SCHEMBL29390571 0.82 SMN1; SMN2 (0.53) ALDH1A1CYP1A2TSHRRAB9ANPC1
SCHEMBL5312198 0.81 CYP1A2 (0.43) ALDH1A1CYP1A2TSHRRAB9ANPC1
Water SCHEMBL7798110 0.80 SMN1; SMN2 (0.51) ALDH1A1CYP1A2TSHRRAB9ANPC1
Hydrochloric Acid SCHEMBL7500894 0.80 SMN1; SMN2 (0.51) ALDH1A1CYP1A2TSHRRAB9ANPC1
Methyl Alcohol SCHEMBL3396777 0.80 ALDH1A1 (0.53) ALDH1A1CYP1A2TSHRRAB9ANPC1

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
US-20090277559-A1 METHOD FOR VULCANIZATION-ADHERING RUBBER COMPOSITION TO ADHERENT OF BRASS OR PLATED WITH BRASS, REINFORCING MEMBER FOR RUBBER ARTICLE, RUBBER-REINFORCING MEMBER COMPOSITE AND PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2009-11-12 US disclosed
EP-1840158-B1 METHOD FOR VULCANIZATION AND ADHESION OF RUBBER COMPOSITION WITH ARTICLE TO BE ADHERED BEING MADE OF BRASS OR PLATED WITH BRASS, REINFORCING MATERIAL FOR RUBBER ARTICLE, RUBBER-REINFORCING MATERIAL COMPOSITE, AND PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2009-02-18 EP disclosed
EP-1840158-A1 METHOD FOR VULCANIZATION AND ADHESION OF RUBBER COMPOSITION WITH ARTICLE TO BE ADHERED BEING MADE OF BRASS OR PLATED WITH BRASS, REINFORCING MATERIAL FOR RUBBER ARTICLE, RUBBER-REINFORCING MATERIAL COMPOSITE, AND PNEUMATIC TIRE Bridgestone Corporation (JP) 2007-10-03 EP disclosed