SCHEMBL5315540

SCHEMBL5315540

COCCOCCOC(OCCOCCOC)(OCCOCCOC)OC(=O)Cc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 18/20 0.45
CYP17A1 P05093 2/20 0.37
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5315937 0.81 LMNA (0.41) KDM4ESMN1; SMN2
SCHEMBL5310369 0.79 ALDH1A1 (0.42) KDM4ESMN1; SMN2
SCHEMBL3908881 0.75 CYP19A1 (0.50) CYP19A1CYP17A1KDM4ETDP1SMN1; SMN2
SCHEMBL3914292 0.74 CYP19A1 (0.52) CYP19A1CYP17A1SMN1; SMN2
SCHEMBL3916941 0.72 CYP19A1 (0.50) CYP19A1SMN1; SMN2
SCHEMBL5315539 0.71 CYP19A1 (0.44) CYP19A1CYP17A1
SCHEMBL237854 0.70 CYP19A1 (0.59) CYP19A1SMN1; SMN2
SCHEMBL5315543 0.70 CYP19A1 (0.49) CYP19A1CYP17A1
SCHEMBL5317685 0.70 PKM (0.43) KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL4829936 0.69 CYP19A1 (0.57) CYP19A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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