SCHEMBL6942928

SCHEMBL6942928

COc1ccc(C(=O)Cl)cc1OCCCCCCCCCCCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.69
PDE4B Q07343 4/20 0.69
PDE4C Q08493 4/20 0.69
PDE4D Q08499 4/20 0.69
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 2/20 0.52
LMNA P02545 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMPD1 P17405 5/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
CNR2 P34972 1/20 0.48
MEN1 O00255 1/20 0.48
PRSS1 P07477 1/20 0.48

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
SCHEMBL8890208 0.91 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7153812 0.91 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL6584958 0.89 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL9712873 0.84 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL9308281 0.83 SMPD1 (0.71) PDE4APDE4BPDE4CPDE4DSMPD1
SCHEMBL8890661 0.83 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL184987 0.83 SMPD1 (0.71) NPC1RAB9AKMT2ASMPD1HDAC1
SCHEMBL7369768 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL7376634 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DNPC1
SCHEMBL7332411 0.80 SMPD1 (0.63) PDE4APDE4BPDE4CPDE4DSMPD1

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
EP-0869945-B1 CATECHOL DIETHERS DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS PFIZER (US) 2003-04-16 EP disclosed
US-6028086-A SELECTIVE INHIBITORS OF PHOSPHODIESTERASE (PDE) TYPE IV OR PRODUCTION OF TUMOR NECROSIS FACTOR (TNF) AND AS SUCH ARE USEFUL TREATMENT OF ASTHMA, ARTHRITIS, BRONCHITIS, CHRONIC OBSTRUCTIVE AIRWAYS DISEASE, PSORIASIS, ALLERGIC RHINITIS P PFIZER INC (US) 2000-02-22 US disclosed
EP-0869945-A1 CATECHOL DIETHERS DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS PFIZER INC. (US) 1998-10-14 EP disclosed
WO-1996040636-A1 CATECHOL DIETHERS DERIVATIVES USEFUL AS PHARMACEUTICAL AGENTS PFIZER INC. (US) 1996-12-19 WO disclosed