SCHEMBL7389732

SCHEMBL7389732

CC(=O)Oc1nc2c(C)c(O)c(C)cc2o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.35
GAA P10253 6/20 0.35
GLA P06280 5/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 3/20 0.35
CASP1 P29466 2/20 0.35
CASP7 P55210 2/20 0.35
HSP90AA1 P07900 1/20 0.35
HSP90AB1 P08238 1/20 0.35
ALPG P10696 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CA12 O43570 3/20 0.34
CA9 Q16790 3/20 0.34
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL24165240 0.74 ELANE (0.36) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL11512609 0.73 AGPAT2 (0.42) KDM4EGAAGLAALDH1A1HSD17B10
SCHEMBL2912166 0.65 POLB (0.56) KDM4EGAAGLAMAPTALDH1A1
SCHEMBL5469722 0.64 ALDH1A1 (0.49) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL13342884 0.63 KDM4E (0.61) KDM4EGAAGLAMAPTALDH1A1
SCHEMBL3688841 0.62 LMNA (0.50) KDM4EGAAGLAMAPTALDH1A1
SCHEMBL27298985 0.62 POLB (0.44) KDM4EGAAGLAMAPTALDH1A1
SCHEMBL27523005 0.59 HTT (0.51) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL24165265 0.59 ELANE (0.35) KDM4EGAAMAPTALDH1A1HSD17B10
SCHEMBL28575486 0.59 PIK3CG (0.31) GLAMAPTALDH1A1HPGDCA12

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-5905068-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1999-05-18 US disclosed