SCHEMBL7985937

SCHEMBL7985937

COc1ccc([CH][CH]c2c(Cl)cncc2Cl)cc1OC1C(=O)C2C=CC1C2

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 14/20 0.35
PDE4D Q08499 6/20 0.35
PDE4A P27815 4/20 0.35
PDE4C Q08493 4/20 0.35
NR1H2 P55055 1/20 0.33
MAPT P10636 2/20 0.31
PLIN1 O60240 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPK1 P28482 1/20 0.31
PLIN5 Q00G26 1/20 0.31
ABHD5 Q8WTS1 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.31
AMY1A P0DUB6 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7110666 0.80 ALDH1A1 (0.51) PDE4BMAPTPLIN1LMNAGAA
SCHEMBL7985943 0.76 PDE4D (0.64) PDE4BPDE4DPDE4APDE4C
SCHEMBL7110388 0.76 PDE4D (0.64) PDE4BPDE4DPDE4APDE4C
SCHEMBL7107092 0.76 PDE4D (0.39) PDE4BPDE4DPDE4APDE4C
SCHEMBL7431497 0.70 CA12 (0.52) PDE4BPDE4DPDE4APDE4CLMNA
SCHEMBL1388372 0.65 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL1388370 0.65 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL1074318 0.65 PDE4B (0.54) PDE4BPDE4DPDE4APDE4C
SCHEMBL1076338 0.64 CYP1A1 (0.59) NR1H2MAPTALDH1A1
SCHEMBL3931400 0.64 CYP1A1 (0.59) NR1H2MAPTALDH1A1

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-6255326-B1 ANTIINFLAMMATORY AGENT; AUTOIMMUNE DISEASES AVENTIS PHARMA LIMITED (GB) 2001-07-03 US disclosed