SCHEMBL7356945

SCHEMBL7356945

COc1ccc(C(=O)Cl)cc1OCC1CCCCO1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
CASP3 P42574 1/20 0.53
SENP7 Q9BQF6 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ROCK2 O75116 1/20 0.47
PDE4B Q07343 3/20 0.45
TSHR P16473 1/20 0.45
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PDE4A P27815 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
GCGR P47871 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
SCHEMBL8555091 0.91 NPC1 (0.53) NPC1RAB9ACASP3SENP7SMN1; SMN2
SCHEMBL6073307 0.86 MAPK1 (0.55) NPC1RAB9ACASP3SENP7SMN1; SMN2
SCHEMBL7362324 0.83 PDE4B (0.58) PDE4BPDE4APDE4CPDE4D
SCHEMBL7361164 0.80 PDE4B (0.66) NPC1RAB9ACASP3SENP7PDE4B
SCHEMBL1030016 0.80 PDE4B (0.61) PDE4BPDE4APDE4CPDE4D
SCHEMBL7354089 0.79 PDE4B (0.45) SMN1; SMN2KDM4EALDH1A1PDE4BTSHR
SCHEMBL7363537 0.79 ALDH1A1 (0.50) NPC1RAB9ACASP3SENP7SMN1; SMN2
SCHEMBL2934121 0.77 KDM4E (0.51) NPC1RAB9ACASP3SENP7KDM4E
SCHEMBL9068671 0.76 CA12 (0.59) RAB9APDE4BTSHRLMNAHTT
SCHEMBL17908114 0.76 PTGER1 (0.56) NPC1RAB9ACASP3SENP7SMN1; SMN2

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-0741707-B1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE POULENC RORER LTD (GB) 1998-04-01 EP disclosed
EP-0741707-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1996-11-13 EP disclosed
WO-1995020578-A1 SUBSTITUTED AROMATIC COMPOUNDS AS c.AMP PHOSPHODIESTERASE- AND TNF-INHIBITORS RHONE-POULENC RORER LIMITED (GB) 1995-08-03 WO disclosed