SCHEMBL6206770

SCHEMBL6206770

CCCCC(O)c1nc2ccccc2o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
F2 P00734 1/20 0.48
LMNA P02545 1/20 0.48
MIF P14174 1/20 0.48
TP53 P04637 2/20 0.46
HSP90AA1 P07900 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
FAAH O00519 2/20 0.43
CES1 P23141 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSF1 Q00613 4/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42

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
SCHEMBL14562892 0.92 HSF1 (0.44) MAPTALDH1A1KMT2AHSD17B10F2
SCHEMBL3956437 0.87 FAAH (0.59) MAPTALDH1A1KMT2AHSD17B10TP53
SCHEMBL27267864 0.85 MAPT (0.46) MAPTALDH1A1LMNATP53HSF1
SCHEMBL23848115 0.84 MAPT (0.42) MAPTALDH1A1KMT2AHSD17B10F2
SCHEMBL27996129 0.84 MAPT (0.42) MAPTALDH1A1KMT2AHSD17B10F2
SCHEMBL6462957 0.84 MAPT (0.41) MAPTALDH1A1KMT2AHSD17B10F2
SCHEMBL6462954 0.84 MAPT (0.41) MAPTALDH1A1KMT2AHSD17B10F2
SCHEMBL3030433 0.83 CNR2 (0.43) MAPTALDH1A1KMT2AHSD17B10F2
Hydrochloric Acid SCHEMBL3621160 0.83 LOXL2 (0.47) MAPTALDH1A1KMT2AHSD17B10F2
SCHEMBL24928637 0.83 LOXL2 (0.47) MAPTALDH1A1KMT2AHSD17B10F2

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
EP-1515726-A1 MORPHOLINE AND TETRAHYDROPYRAN DERIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS Aventis Pharmaceuticals, Inc. (US) 2005-03-23 EP disclosed
WO-2004002491-A1 MORPHOLINE AND TETRAHYDROPYRAN DRIVATIVES AND THEIR USE AS CATHEPSIN INHIBITORS AVENTIS PHARMACEUTICALS INC. (US) 2004-01-08 WO disclosed