SCHEMBL5315941

SCHEMBL5315941

COC(C)OC(C)OC(OC(=O)c1ccncc1)(OC(C)OC(C)OC)OC(C)OC(C)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
MAPT P10636 3/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
PTGS2 P35354 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
NAPRT Q6XQN6 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
SCHEMBL5315543 0.79 CYP19A1 (0.49)
SCHEMBL14919007 0.76 LMNA (0.50) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3910175 0.71 ADRB2 (0.42) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL26123689 0.71 LMNA (0.51) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL15953934 0.70 HSD17B10 (0.53) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL1871973 0.70 HSD17B10 (0.53) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3908793 0.70 KMT2A (0.41) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL3914954 0.68 ALDH1A1 (0.40) LMNACYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL5312198 0.68 CYP1A2 (0.43) CYP1A2SMN1; SMN2POLBMAPTALDH1A1
Methyl Isonicotinate SCHEMBL180574 0.67 CYP1A2 (0.60) LMNACYP1A2CYP2C9CYP2C19SMN1; 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