SCHEMBL5315935

SCHEMBL5315935

CCOC(C)(OC)OC(OC(=O)c1ccncc1)(OC(C)(OC)OCC)OC(C)(OC)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
LMNA P02545 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
KMT2A Q03164 4/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL5315539 0.82 CYP19A1 (0.44) LMNA
SCHEMBL5317681 0.79 NPC1 (0.41) MAPTSMN1; SMN2KMT2ANPC1L3MBTL1
SCHEMBL28161590 0.74 CYP2D6 (0.50) MAPTLMNASMN1; SMN2CYP1A2CYP2C19
SCHEMBL5312191 0.72 CYP1A2 (0.40) MAPTLMNASMN1; SMN2CYP1A2KMT2A
SCHEMBL11510858 0.71 LMNA (0.54) MAPTLMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL1871973 0.70 HSD17B10 (0.53) MAPTLMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL5315937 0.69 LMNA (0.41) MAPTLMNASMN1; SMN2CYP1A2CYP2C9
SCHEMBL27734197 0.68 CYP2D6 (0.54) MAPTLMNASMN1; SMN2CYP1A2CYP2C19
Ethyl Isonicotinate SCHEMBL24935 0.67 CA12 (0.62) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL17797918 0.67 ELANE (0.49) MAPTCYP1A2CYP2C19KMT2AHSD17B10

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