SCHEMBL7301131

SCHEMBL7301131

O=C(O)[C@H](CC(=O)N1CCOCC1)Cc1cccc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.49
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 4/20 0.46
HPGD P15428 1/20 0.46
KDM4E B2RXH2 4/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 1/20 0.46
PIN1 Q13526 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
REN P00797 1/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 2/20 0.45
FKBP1A P62942 2/20 0.44
CTNNB1 P35222 1/20 0.44
SMN1; SMN2 Q16637 3/20 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
SCHEMBL2295759 1.00 KMT2A (0.49) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL5709588 1.00 KMT2A (0.49) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL7433845 0.89 KDM4E (0.45) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL11981992 0.89 REN (0.48) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL13840602 0.89 REN (0.48) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL7433838 0.89 KDM4E (0.45) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL10751934 0.89 CTNNB1 (0.47) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL7289410 0.89 CTNNB1 (0.47) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL421814 0.88 REN (0.48) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL13839332 0.88 REN (0.48) KMT2AMEN1ALDH1A1HPGDKDM4E

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-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed
EP-0416393-A1 Peptidyl difluorodiol renin inhibitors ABBOTT LABORATORIES (US) 1991-03-13 EP disclosed
EP-0341602-A2 Renin-inhibiting functionalized peptidyl aminodiols and - triols ABBOTT LABORATORIES (US) 1989-11-15 EP disclosed
US-4826958-A HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1989-05-02 US disclosed