SCHEMBL7316150

SCHEMBL7316150

COc1ccc(C=Cc2cccnn2)cc1OC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 12/20 0.52
PDE4A P27815 6/20 0.48
PDE4D Q08499 5/20 0.48
PDE4C Q08493 3/20 0.48
PDE3A Q14432 1/20 0.47
VEGFA P15692 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CREBBP Q92793 1/20 0.43

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
SCHEMBL1388242 0.86 PDE4A (0.54) PDE4BPDE4APDE4DPDE4CPDE3A
SCHEMBL1388244 0.86 PDE4A (0.54) PDE4BPDE4APDE4DPDE4CPDE3A
SCHEMBL8482836 0.81 PDE4A (0.57) PDE4BPDE4APDE4DPDE4CALDH1A1
SCHEMBL8482828 0.81 PDE4A (0.57) PDE4BPDE4APDE4DPDE4CALDH1A1
SCHEMBL8481926 0.81 PDE4B (0.55) PDE4BPDE4APDE4DPDE4CPDE3A
SCHEMBL1388172 0.80 ALDH1A1 (0.68) PDE4BPDE4APDE4DPDE4CALDH1A1
SCHEMBL1388171 0.80 ALDH1A1 (0.68) PDE4BPDE4APDE4DPDE4CALDH1A1
SCHEMBL1389060 0.80 ALDH1A1 (0.68) PDE4BPDE4APDE4DPDE4CALDH1A1
SCHEMBL1389074 0.80 PDE4B (0.52) PDE4BPDE4APDE4DPDE4CPDE3A
SCHEMBL1389073 0.80 PDE4B (0.52) PDE4BPDE4APDE4DPDE4CPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723460-A Cyclo (alkyl and alkenyl) phenyl-alkenylyl heteroaryl compounds and pharmaceutical compositions containing same CELLTECH THERAPEUTICS LIMITED (GB) 1998-03-03 US claimed
US-5962483-A ANTIASTHMA AGENTS; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS, LIMITED (GB) 1999-10-05 US disclosed
US-5962492-A ANTIASTHMA AGENTS; ANTIINFLAMMATORY AGENTS CELLTECH THERAPEUTICS LIMITED (GB) 1999-10-05 US disclosed
US-5739144-A INHIBITORS OF PHOSPHODIESTERASE ENZYMES CELLTECH THERAPEUTICS LIMITED (GB) 1998-04-14 US disclosed
US-5723460-A Cyclo (alkyl and alkenyl) phenyl-alkenylyl heteroaryl compounds and pharmaceutical compositions containing same CELLTECH THERAPEUTICS LIMITED (GB) 1998-03-03 US disclosed