SCHEMBL9370693

SCHEMBL9370693

CC(C)(C)OC(=O)Oc1c[c]ccc1OC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
KDM1A O60341 1/20 0.34
BRD4 O60885 2/20 0.33
CA2 P00918 1/20 0.32
GPR119 Q8TDV5 1/20 0.30

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
SCHEMBL8038906 0.87 ELANE (0.42) ELANEKDM1ABRD4CA2GPR119
SCHEMBL11245161 0.79 ELANE (0.47) ELANE
SCHEMBL9375710 0.78
SCHEMBL486023 0.77 ELANE (0.62) ELANEKDM1ACA2GPR119
SCHEMBL5468257 0.76 ALDH1A1 (0.40) ELANECA2
SCHEMBL1451808 0.76 KDM4E (0.44)
SCHEMBL14814745 0.75 ELANE (0.51) ELANEKDM1ACA2GPR119
SCHEMBL8028975 0.72 ELANE (0.41) ELANEKDM1A
SCHEMBL9375714 0.72
SCHEMBL11422532 0.72 MEN1 (0.38)

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
US-5294737-A Hydrolysis, cyclization, condensation THE RESEARCH FOUNDATION STATE UNIVERSITY OF NEW YORK (US) 1994-03-15 US claimed