SCHEMBL7991282

SCHEMBL7991282

COC(=O)c1ccc(Oc2ccc(C(=O)c3ccc(OC(F)F)c(OC(F)F)c3)cn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.54
PDE4B Q07343 3/20 0.42
PDE4D Q08499 3/20 0.42
PDE4A P27815 2/20 0.42
PDE4C Q08493 2/20 0.42
ALDH1A1 P00352 3/20 0.41
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KMT2A Q03164 1/20 0.39
LIPE Q05469 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
P2RX3 P56373 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL7994597 0.87 LMNA (0.43) LMNAPDE4BPDE4DPDE4APDE4C
SCHEMBL7977065 0.84 LMNA (0.51) LMNAPDE4BPDE4DPDE4APDE4C
SCHEMBL7991272 0.83 LMNA (0.50) LMNAPDE4BPDE4DPDE4APDE4C
SCHEMBL7994711 0.83 RAB9A (0.49) LMNAPDE4BPDE4DPDE4APDE4C
SCHEMBL7977309 0.77 PDE4A (0.52) LMNAPDE4A
SCHEMBL14691446 0.77 TTR (0.51) LMNAPDE4BPDE4DPDE4APDE4C
SCHEMBL7987426 0.76 PDE4A (0.65) PDE4A
SCHEMBL7996011 0.74 LMNA (0.41) LMNAPDE4BPDE4DPDE4APDE4C
SCHEMBL4536330 0.74 MAPK1 (0.56) LMNAALDH1A1KDM4EKMT2A
SCHEMBL7908376 0.74 PDE4A (0.44) PDE4BPDE4DPDE4APDE4CALDH1A1

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-6180650-B1 ANTIINFLAMMATORY AGENTS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTITUMOR AGENTS MERCK FROSST CANADA & CO. (CA) 2001-01-30 US disclosed