SCHEMBL18922372

SCHEMBL18922372

CC(C)=CC1OC1N1CCOCC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 2/20 0.32
LMNA P02545 1/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 1/20 0.31
CYP2A13 Q16696 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL18407822 0.74 CYP2A13 (0.33) ALDH1A1CYP2A13HPGD
SCHEMBL6999817 0.68 ALDH1A1 (0.38) SMN1; SMN2GAAALDH1A1CYP2A13HPGD
SCHEMBL19773458 0.61 CYP2A13 (0.38) SMN1; SMN2GAAALDH1A1CYP2A13HPGD
SCHEMBL1760699 0.58 SMN1; SMN2 (0.41) SMN1; SMN2GAAALDH1A1CYP2A13
SCHEMBL16840093 0.58 CYP2A13 (0.59) SMN1; SMN2ALDH1A1CYP2A13HPGD
SCHEMBL3634645 0.57 CYP2A13 (0.41) SMN1; SMN2LMNAALDH1A1CYP2A13HPGD
SCHEMBL3634647 0.57 CYP2A13 (0.41) SMN1; SMN2LMNAALDH1A1CYP2A13HPGD
SCHEMBL21827557 0.57 CYP2A13 (0.41) SMN1; SMN2LMNAALDH1A1CYP2A13HPGD
SCHEMBL15854999 0.56 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1CYP2A13HPGD
SCHEMBL1699950 0.56 SMN1; SMN2 (0.44) SMN1; SMN2LMNAALDH1A1CYP2A13HPGD

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-9669032-B2 Enhanced treatment regimens using mTOR inhibitors INTELLIKINE LLC (US) 2017-06-06 US disclosed