Sugi Predict

Sugi Predict / Compounds / SCHEMBL14219015

SCHEMBL14219015

SCHEMBL14219015

OOC1C2CC3CC(C2)CC1C3

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.45
▸ HSD11B1 P28845 2/20 0.39
▸ EPHX1 P07099 1/20 0.36
▸ EPHX2 P34913 2/20 0.35
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL39976 0.73 CYP2C9 (0.42) CYP2C9HSD11B1EPHX1EPHX2
Lithium SCHEMBL5510213 0.71 CYP2C9 (0.40) CYP2C9HSD11B1EPHX1EPHX2
SCHEMBL13577591 0.69 CYP2C9 (0.38) CYP2C9HSD11B1EPHX1
SCHEMBL10584202 0.69 CYP2C9 (0.38) CYP2C9HSD11B1EPHX1
SCHEMBL3708629 0.69 CYP2C9 (0.38) CYP2C9HSD11B1EPHX1
SCHEMBL1238711 0.69 CYP2C9 (0.38) CYP2C9HSD11B1EPHX1CA1CA2
SCHEMBL251015 0.69 CYP2C9 (0.38) CYP2C9HSD11B1EPHX1
SCHEMBL1033337 0.67 HSD11B1 (0.52) CYP2C9HSD11B1EPHX1EPHX2HSD17B10
SCHEMBL5350579 0.67 HSD11B1 (0.52) CYP2C9HSD11B1EPHX1EPHX2HSD17B10
SCHEMBL7784801 0.66 SMPD1 (0.48) —

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-7371778-B2 Spiro and dispiro 1,2,4-trioxolane antimalarials MEDICINES FOR MALARIA VENTURE MMV (CH) 2008-05-13 — — US disclosed