SCHEMBL7907874

SCHEMBL7907874

CC(C)(Nc1ccc(C(=O)c2ccc(OC(F)F)c(OC(F)F)c2)cn1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.53
VNN1 O95497 8/20 0.53
PDE4B Q07343 3/20 0.44
PDE4C Q08493 3/20 0.44
PDE4D Q08499 3/20 0.44
HDAC6 Q9UBN7 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 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
SCHEMBL31365135 0.76 VNN1 (0.58) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL22031932 0.76 VNN1 (0.58) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL4160646 0.75 PDE4A (0.61) PDE4APDE4BPDE4CPDE4D
SCHEMBL7908376 0.74 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL7905267 0.70 PDE4A (1.00) PDE4A
SCHEMBL7991282 0.70 LMNA (0.54) PDE4APDE4BPDE4CPDE4D
SCHEMBL18286324 0.69 VNN1 (1.00) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL7994597 0.67 LMNA (0.43) PDE4AVNN1PDE4BPDE4CPDE4D
SCHEMBL20185766 0.67 VNN1 (1.00) VNN1HDAC6HDAC3HDAC1HDAC2
SCHEMBL15100708 0.67 MAPT (0.48) PDE4APDE4BPDE4CPDE4D

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-6200993-B1 ASTHMA; ANTIINFLAMMATORY AGENTS MERCK FROSST CANADA & CO. (CA) 2001-03-13 US disclosed