SCHEMBL21111077

SCHEMBL21111077

O=C(CI)C1CCC(O)CC1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.36
TSHR P16473 1/20 0.30
SHBG P04278 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
SCHEMBL14606394 0.79
SCHEMBL16273431 0.78 PLG (0.37) EPHX2
SCHEMBL20468728 0.78 EPHX1 (0.33)
SCHEMBL16887696 0.77 SHBG (0.41) EPHX2TSHRSHBG
SCHEMBL14747461 0.77 CES2 (0.50) TSHR
SCHEMBL16887508 0.77 SHBG (0.41) EPHX2TSHRSHBG
SCHEMBL10277235 0.77 SHBG (0.41) EPHX2TSHRSHBG
SCHEMBL10437811 0.75 EPHX2 (0.36) EPHX2TSHRSHBG
SCHEMBL32661372 0.75 NLRP3 (0.41) EPHX2TSHRSHBG
SCHEMBL10437912 0.75 EPHX2 (0.36) EPHX2TSHRSHBG

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
WO-2019135010-A1 TIACUMICIN DERIVATIVES AND THEIR USE AS ANTIBIOTICS Universität Zürich (CH) 2019-07-11 WO disclosed
EP-3508492-A1 TIACUMICIN DERIVATIVES AND THEIR USE AS ANTIBIOTICS Universität Zürich (CH) 2019-07-10 EP disclosed