SCHEMBL9129273

SCHEMBL9129273

Cc1cccc(-c2cc(CC3CCCC3)cc3cccnc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.52
PDE4B Q07343 12/20 0.52
PDE4C Q08493 11/20 0.52
PDE4D Q08499 11/20 0.52
CYP2C9 P11712 2/20 0.42
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
PSMD14 O00487 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
AGTR1 P30556 1/20 0.39
CYP2C19 P33261 1/20 0.39
OPRK1 P41145 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE10A Q9Y233 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
SCHEMBL7443607 0.86 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DCYP2C9
Hydrochloric Acid SCHEMBL7436727 0.85 PDE4A (0.53) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7441455 0.81 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7441262 0.81 CCR3 (0.44) PDE4APDE4BPDE4CPDE4DCYP2C9
SCHEMBL7450047 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKDM4E
Hydrochloric Acid SCHEMBL7433162 0.81 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7442481 0.81 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7437304 0.79 PDE4A (0.41) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL7446386 0.76 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7439698 0.75 ITK (0.43) KDM4EMEN1ALDH1A1LMNAHPGD

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-5455252-A Antiinflammatory agent, immunosuppressant, antiallergen, skin disorders, bronchodilator, analgesic SYNTEX (U.S.A.) INC. (US) 1995-10-03 US disclosed