SCHEMBL11084293

SCHEMBL11084293

COc1ccc(C(O[C]=O)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 3/20 0.53
PBRM1 Q86U86 1/20 0.47
CA4 P22748 1/20 0.45
ALDH1A1 P00352 3/20 0.45
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
LTA4H P09960 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.43
MAPT P10636 1/20 0.43
RAB9A P51151 1/20 0.43
PAX8 Q06710 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
TP53 P04637 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP3A4 P08684 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
SCHEMBL1354 0.93 CA1 (0.46) ACP3ALDH1A1L3MBTL1NPC1MAPT
SCHEMBL857 0.84 IDO1 (0.39) NPSR1
SCHEMBL17616547 0.82 ACP3 (0.49) ACP3PBRM1CA4ALDH1A1NR3C1
SCHEMBL78901 0.79 ACP3 (0.56) ACP3PBRM1CA4ALDH1A1NR3C1
SCHEMBL17599983 0.79 ACP3 (0.56) ACP3PBRM1CA4ALDH1A1NR3C1
SCHEMBL9186560 0.78 ACP3 (0.56) ACP3PBRM1CA4ALDH1A1LTA4H
SCHEMBL5536659 0.78 IDO1 (0.45) ALDH1A1NPSR1
SCHEMBL5537747 0.78 IDO1 (0.58) MAPTNPSR1CNR1TP53KMT2A
SCHEMBL8716433 0.76 RAB9A (0.46) ACP3ALDH1A1L3MBTL1NPC1RAB9A
SCHEMBL11784757 0.76 ACP3 (0.58) ACP3PBRM1CA4ALDH1A1LTA4H

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
US-4458071-A Process for 1-oxa-β-lactams ELI LILLY AND COMPANY (US) 1984-07-03 US disclosed
EP-0109302-A1 Process for 1-oxa-beta-lactams ELI LILLY AND COMPANY (US) 1984-05-23 EP disclosed