SCHEMBL14601533

SCHEMBL14601533

OCCOc1ccc2[nH]c(-c3ccccc3O)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.47
F2 P00734 1/20 0.45
F10 P00742 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
PLAT P00750 1/20 0.45
HPN P05981 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
PDE5A O76074 2/20 0.45
CHEK2 O96017 1/20 0.44
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
P2RY12 Q9H244 1/20 0.43
MGAM O43451 2/20 0.43
PTGES O14684 1/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
GUSB P08236 2/20 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
SCHEMBL14601539 0.91 CHEK2 (0.46) PLGPLAUPDE5ACHEK2PDE3B
SCHEMBL14601532 0.85 PDE3B (0.52) PLGPLAUCHEK2PDE3BPDE3A
SCHEMBL19205885 0.82 GUSB (0.55) F7F2F10PLGPLAU
SCHEMBL9635832 0.78 CHEK2 (0.42) PDE5ACHEK2PDE3BPDE3AP2RY12
SCHEMBL20982723 0.78 CHEK2 (0.61) PLGPLAUCHEK2PDE3BPDE3A
SCHEMBL14601536 0.78 MGAM (0.67) MGAMKDM4EHPGDALDH1A1TP53
SCHEMBL2245639 0.76 F2 (0.57) F7F2F10PLGPLAU
SCHEMBL1662716 0.74 CHEK2 (0.60) PLGPLAUCHEK2KDM4EHPGD
SCHEMBL7393988 0.74 F7 (0.55) F7F2F10PLGPLAU
SCHEMBL461968 0.73 F7 (0.79) F7F2F10PLGPLAU

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
US-20070020418-A1 Acetaldehyde scavenging by addition of active scavengers to bottle closures HOWELL EARL E JR 2007-01-25 US disclosed
US-20070020418-A1 Acetaldehyde scavenging by addition of active scavengers to bottle closures HOWELL EARL E JR 2007-01-25 US disclosed
EP-1739026-A1 Acetaldehyde scavenging by addition of active scavengers to bottle closures Eastman Chemical Company (US) 2007-01-03 EP disclosed