SCHEMBL7303747

SCHEMBL7303747

CCOC(=O)CCCn1nc2ccc(OC(=O)OC(C)(C)C)cn2c1=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNF P01375 10/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
GPR139 Q6DWJ6 2/20 0.37
ELANE P08246 1/20 0.35
TBXAS1 P24557 1/20 0.35
CNR1 P21554 1/20 0.35
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 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
SCHEMBL7313887 0.88 CYP2C19 (0.46) KDM4EHSD17B10GPR139ELANECYP2C9
SCHEMBL7310513 0.87 KDM4E (0.40) TNFKDM4EHSD17B10GPR139TBXAS1
SCHEMBL6473965 0.84 KDM4E (0.39) TNFKDM4EHSD17B10GPR139TBXAS1
SCHEMBL6474507 0.78 KDM4E (0.41) TNFKDM4EHSD17B10TBXAS1GAA
SCHEMBL7301560 0.73 CYP2C19 (0.48) KDM4EHSD17B10GPR139CYP2C9CYP2C19
SCHEMBL6474348 0.71 ALDH1A1 (0.44) TNFKDM4EHSD17B10GPR139CYP2C19
SCHEMBL6474544 0.71 CYP2C19 (0.47) KDM4EHSD17B10GPR139CYP2C9CYP2C19
SCHEMBL7307719 0.66 SCN5A (0.48) KDM4EELANE
SCHEMBL5701486 0.64 ELANE (0.57) KDM4EHSD17B10ELANEGAA
SCHEMBL6474360 0.64 CYP2C19 (0.50) KDM4EHSD17B10GPR139CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0854140-B1 Vitronectin receptor antagonists, their production and their use SANOFI AVENTIS DEUTSCHLAND (DE) 2013-11-06 EP disclosed
EP-0854140-A2 Vitronectin receptor antagonists, their production and their use HOECHST AKTIENGESELLSCHAFT (DE) 1998-07-22 EP disclosed