SCHEMBL8538236

SCHEMBL8538236

CCCCCCCCCCCOc1ccc(CCC(NC(C)=O)(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.61
MEN1 O00255 1/20 0.61
MAPT P10636 1/20 0.61
KMT2A Q03164 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
HTT P42858 1/20 0.54
S1PR1 P21453 6/20 0.53
S1PR4 O95977 5/20 0.53
S1PR3 Q99500 5/20 0.53
S1PR5 Q9H228 4/20 0.53
THRB P10828 1/20 0.52
PKM P14618 1/20 0.52
ALDH1A1 P00352 2/20 0.48
RECQL P46063 1/20 0.48
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL8500276 1.00 ATM (0.61) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL8497043 1.00 ATM (0.61) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL903628 0.89 ATM (0.68) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL8538203 0.89 ATM (0.68) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL8496921 0.88 HTT (0.49) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL16143376 0.86 ATM (0.56) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL12949944 0.86 ATM (0.64) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL8533964 0.84 ATM (0.77) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL17427770 0.84 PKM (0.60) ATMMEN1MAPTKMT2AL3MBTL1
SCHEMBL12949880 0.84 ATM (0.60) ATMMEN1MAPTKMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0627406-B1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL (JP) 1998-10-28 EP disclosed
US-5604229-A 2-amino-1,3-propanediol compound and immunosuppressant YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-02-18 US disclosed
EP-0627406-A1 2-AMINO-1,3-PROPANEDIOL COMPOUND AND IMMUNOSUPPRESSANT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-12-07 EP disclosed