SCHEMBL28699807

SCHEMBL28699807

CC1(C)Oc2ccc(C(O)Cc3c(Cl)cncc3Cl)cc2O1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.40
ALOX12 P18054 1/20 0.40
PDE4B Q07343 2/20 0.38
ADRB2 P07550 3/20 0.33
ADRB3 P13945 3/20 0.33
ADRB1 P08588 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
TSHR P16473 2/20 0.33
PDE4A P27815 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
AOC3 Q16853 1/20 0.32
NFKB1 P19838 1/20 0.31

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
SCHEMBL14164989 0.87 PDE4B (0.38) PDE4BPDE4APDE4CPDE4D
SCHEMBL14165106 0.82 PDE4A (0.44) ALOX15ALOX12PDE4BADRB2ADRB3
SCHEMBL21709172 0.76 BLM (0.47) ALOX15ALOX12ADRB2ADRB3ADRB1
SCHEMBL1616464 0.72 PDE4D (0.53) PDE4BTSHRPDE4APDE4CPDE4D
SCHEMBL15753781 0.72 PDE4D (0.53) PDE4BTSHRPDE4APDE4CPDE4D
SCHEMBL14164833 0.72 PDE4D (0.53) PDE4BTSHRPDE4APDE4CPDE4D
SCHEMBL30362076 0.72 PDE4D (0.53) PDE4BTSHRPDE4APDE4CPDE4D
SCHEMBL9141282 0.69 ALOX15 (0.50) ALOX15ALOX12TSHRSMN1; SMN2AOC3
SCHEMBL15753320 0.68 PDE4A (0.54) PDE4BPDE4APDE4CPDE4D
SCHEMBL15753322 0.68 PDE4A (0.54) PDE4BPDE4APDE4CPDE4D

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
CN-106946848-B Derivatives of 1-phenyl-2-pyridylalkylalcohols as phosphodiesterase inhibitors 奇斯药制品公司 2022-01-04 CN disclosed