SCHEMBL20748342

SCHEMBL20748342

CC(C)(C)Oc1ccc(C=O)cc1OCC1CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 9/20 0.46
FDPS P14324 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
TACR2 P21452 1/20 0.41
HPGD P15428 2/20 0.40
RIPK1 Q13546 1/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL498127 0.84 ALDH1A1 (0.62) PDE4BFDPSPDE4APDE4CPDE4D
SCHEMBL30352601 0.84 ALDH1A1 (0.62) PDE4BFDPSPDE4APDE4CPDE4D
SCHEMBL637014 0.81 FDPS (0.67) PDE4BFDPSPDE4APDE4CPDE4D
SCHEMBL13232716 0.81 DRD2 (0.47) PDE4BFDPSPDE4APDE4CPDE4D
SCHEMBL3736992 0.81 FDPS (0.43) PDE4BFDPSPDE4APDE4CPDE4D
SCHEMBL6584890 0.80 ALDH1A1 (0.60) PDE4BFDPSPDE4APDE4CPDE4D
SCHEMBL18883604 0.80 ALDH1A1 (0.57) FDPSALDH1A1TSHRTACR2HPGD
SCHEMBL29991604 0.80 ALDH1A1 (0.57) FDPSALDH1A1TSHRTACR2HPGD
SCHEMBL17050362 0.80 PDE4B (0.46) PDE4BFDPSPDE4APDE4CPDE4D
SCHEMBL5451545 0.80 HPGD (0.54) PDE4BFDPSPDE4APDE4CPDE4D

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
EP-2928869-B1 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOL DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2019-02-20 EP disclosed