SCHEMBL7977065

SCHEMBL7977065

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ALDH1A1 P00352 2/20 0.39
PDE4A P27815 6/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACACB O00763 1/20 0.37
ACACA Q13085 1/20 0.37
SCN9A Q15858 4/20 0.36
P2RX3 P56373 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36

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
SCHEMBL7991272 0.89 LMNA (0.50) LMNAALDH1A1PDE4APDE4BPDE4C
SCHEMBL7991282 0.84 LMNA (0.54) LMNAALDH1A1PDE4APDE4BPDE4C
SCHEMBL7989179 0.83 PDE4A (0.37) LMNAPDE4ASCN9ASCN10A
SCHEMBL7977309 0.82 PDE4A (0.52) LMNAPDE4A
SCHEMBL7996011 0.81 LMNA (0.41) LMNAALDH1A1PDE4APDE4BPDE4C
SCHEMBL7987426 0.81 PDE4A (0.65) PDE4A
SCHEMBL7991261 0.80 HSPB1 (0.48) LMNAALDH1A1PDE4ANPSR1GAA
SCHEMBL7991156 0.74 MEN1 (0.39) ALDH1A1PDE4APDE4BNPSR1
SCHEMBL14691446 0.72 TTR (0.51) LMNAALDH1A1PDE4APDE4BPDE4C
SCHEMBL7994597 0.72 LMNA (0.43) LMNAPDE4APDE4BPDE4CPDE4D

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