SCHEMBL9603010

SCHEMBL9603010

CC1(C)C=C(c2c(-c3ccc(N)cc3)cc[nH]c2=O)c2cc(C#N)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ABCB1 P08183 10/20 0.33
DAO P14920 1/20 0.32
RARA P10276 1/20 0.31
RARB P10826 1/20 0.31
RARG P13631 1/20 0.31
MAPT P10636 1/20 0.31
BACE1 P56817 2/20 0.30
MALT1 Q9UDY8 1/20 0.30
PGR P06401 1/20 0.30
OPRD1 P41143 1/20 0.30
CTSD P07339 1/20 0.30

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
SCHEMBL9596467 0.90 ALDH1A1 (0.36) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9598102 0.88 ABCC9 (0.36) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9682834 0.77 PDPK1 (0.39) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL8642468 0.77 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9525564 0.70 KDM1A (0.36) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL8643067 0.70 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL8645528 0.70 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9603012 0.70 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL8195282 0.70 OPRD1 (0.44) PDE4APDE4BPDE4CPDE4DABCB1
SCHEMBL9527811 0.69 ABCC9 (0.42) PDE4APDE4BPDE4CPDE4DABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189047-A Useful in the treament of respiratory track disorder, hypertension and bronchodilator activity or utility as potassium channel activator BEECHAM GROUP P.L.C. (GB) 1993-02-23 US disclosed