SCHEMBL9587713

SCHEMBL9587713

CCOC(=O)Cc1cc2c(OCC3CO3)cccc2[nH]1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GLA P06280 1/20 0.43
MTNR1A P48039 5/20 0.41
MTNR1B P49286 5/20 0.41
DHFR P00374 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 2/20 0.39
LMNA P02545 1/20 0.39
PKM P14618 1/20 0.38
GAA P10253 2/20 0.38
MGLL Q99685 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CHEK1 O14757 1/20 0.37
VDR P11473 1/20 0.37

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
SCHEMBL9535786 0.85 SRD5A2 (0.42) ALDH1A1GLAMTNR1AMTNR1BDHFR
Acetic Acid SCHEMBL11383873 0.84 MTNR1A (0.45) ALDH1A1GLAMTNR1AMTNR1BDHFR
SCHEMBL9539022 0.83 ALDH1A1 (0.49) ALDH1A1GLAMTNR1AMTNR1BDHFR
SCHEMBL9588071 0.83 ALDH1A1 (0.45) ALDH1A1GLADHFRSMN1; SMN2KDM4E
SCHEMBL11457360 0.81 RHEB (0.51) ALDH1A1GLAMTNR1AMTNR1BDHFR
SCHEMBL6715526 0.81 MTNR1A (0.60) MTNR1AMTNR1BSMN1; SMN2KDM4ELMNA
SCHEMBL11449730 0.80 VDR (0.40) ALDH1A1GLAMTNR1AMTNR1BDHFR
SCHEMBL11449804 0.78 ALDH1A1 (0.47) ALDH1A1GLAMTNR1AMTNR1BDHFR
SCHEMBL4891430 0.78 ALDH1A1 (0.55) ALDH1A1GLASMN1; SMN2LMNAMEN1
SCHEMBL4891437 0.78 ALDH1A1 (0.55) ALDH1A1GLASMN1; SMN2LMNAMEN1

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-5254595-A Aryloxypropanolaminotetralins, a process for their preparation and pharmaceutical compositions containing them ELF SANOFI (FR) 1993-10-19 US disclosed