SCHEMBL7325836

SCHEMBL7325836

CC(C)(CC(=O)CCN1CCOCC1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 6/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 4/20 0.45
MEN1 O00255 2/20 0.45
LMNA P02545 3/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.41
RAB9A P51151 1/20 0.40
HSP90AA1 P07900 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
PAOX Q6QHF9 1/20 0.39
MPI P34949 1/20 0.39

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
SCHEMBL15434608 0.80 SMN1; SMN2 (0.56) GLASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL28005538 0.78 GLA (0.69) GLASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL7361325 0.75 HSD17B10 (0.48) GLASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL14002787 0.75 GLA (0.60) GLASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL7366975 0.74 KDM4E (0.48) GLASMN1; SMN2KMT2AALDH1A1MEN1
SCHEMBL23747134 0.74 GLA (0.58) GLASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL12428914 0.74 SMN1; SMN2 (0.62) GLASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL26383496 0.73 SMN1; SMN2 (0.57) GLASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL545027 0.73 GLA (0.96) GLASMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL28884585 0.71 ARG1 (0.55) GLASMN1; SMN2KMT2AALDH1A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5614522-A SULFONAMIDE AND UREA-CONTAINING HYDROXYETHYLAMINE COMPOUNDS G.D. SEARLE & CO. (US) 1997-03-25 US disclosed
EP-0558673-B1 RETROVIRAL PROTEASE INHIBITORS MONSANTO CO (US) 1996-04-17 EP disclosed
EP-0558673-A1 RETROVIRAL PROTEASE INHIBITORS. MONSANTO CO (US) 1993-09-08 EP disclosed
WO-1992008699-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO disclosed