SCHEMBL7087626

SCHEMBL7087626

COc1ccc(CNC(=O)NC(=O)CC#N)cc1OC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.57
PDE4A P27815 9/20 0.57
PDE4C Q08493 9/20 0.57
PDE4D Q08499 9/20 0.57
ALDH1A1 P00352 1/20 0.51
RECQL P46063 1/20 0.48
PDE5A O76074 1/20 0.47
PDE1A P54750 1/20 0.47
PDE1B Q01064 1/20 0.47
PDE1C Q14123 1/20 0.47
TSHR P16473 1/20 0.47
MAPK10 P53779 1/20 0.47
EPHX2 P34913 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL7325326 0.87 ALDH1A1 (0.68) ALDH1A1TSHRMAPK10EPHX2POLB
SCHEMBL7088472 0.80 PDE4B (0.65) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL7417873 0.78 PDE4B (0.62) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3437003 0.77 ALDH1A1 (0.66) ALDH1A1TSHRMAPK10EPHX2POLB
SCHEMBL13317191 0.76 RECQL (0.61) PDE4BPDE4APDE4CPDE4DRECQL
SCHEMBL7026447 0.76 PDE4B (0.58) PDE4BPDE4APDE4CPDE4DALDH1A1
SCHEMBL3170776 0.75 PDE4B (0.53) PDE4BPDE4APDE4CPDE4DRECQL
SCHEMBL8579115 0.75 NPC1 (0.55) ALDH1A1POLB
SCHEMBL7091205 0.74 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DRECQL
SCHEMBL7477238 0.74 RECQL (0.62) PDE4BPDE4APDE4CPDE4DRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0814809-B1 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 2003-08-13 EP disclosed
US-6440979-B1 Aryl isoguanines EURO-CELTIQUE, S.A. (LU) 2002-08-27 US disclosed
US-6090816-A ANTIASTHMA AGENTS EURO-CELTIQUE S.A. (LU) 2000-07-18 US disclosed
US-6066641-A PHOSPHODIESTERASES AS MOLECULAR TARGETS FOR ANTI-ASTHMATIC AGENTS EURO-CELTIQUE S.A. (LU) 2000-05-23 US disclosed
EP-0814809-A4 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP disclosed
EP-0814809-A1 ARYL THIOXANTHINES Euroceltique S.A. (LU) 1998-01-07 EP disclosed
WO-1996018399-A1 ARYL THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO disclosed